25105691 -OEChem-01110909372D 89 89 0 1 0 0 0 0 0999 V2000 8.0000 3.0311 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.5000 3.8971 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.5000 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 2.5311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8660 3.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 4.8971 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5000 2.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8660 0.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0000 1.2990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0000 0.2990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3660 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8660 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8660 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3660 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3660 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8660 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8660 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3660 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3660 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4384 1.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4384 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7834 -0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4737 -0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9030 1.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 2.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8291 1.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9486 0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2584 0.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5560 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -1.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 0.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7834 -2.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4737 -2.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9030 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6760 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8291 0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9486 -1.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2584 -1.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5560 -3.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -3.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 4.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -2.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8291 -3.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6760 -4.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9030 -3.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9030 -2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6760 -1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8291 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 15 1 0 0 0 0 7 74 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 6 0 0 0 11 40 1 0 0 0 0 12 16 1 1 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 2 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 27 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 28 2 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 29 68 1 0 0 0 0 30 33 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 37 2 0 0 0 0 36 83 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 M CHG 2 5 -1 8 -1 M END > 25105691 > 1 > 1030 > 7 > 1 > 18 > AAADcfB4OAMAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAADwCggAICAAAAARCAQiBCAIAAAAAgAAAACAAAAAgAAAIAAQAAAAAEgAAIAAOAwCAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methoxy-oxido-phosphoryl] hydrogen phosphate > [[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methoxy-oxidophosphoryl] hydrogen phosphate > [[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methoxy-oxidophosphoryl] hydrogen phosphate > [[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methoxy-oxido-phosphoryl] hydrogen phosphate > [[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methoxy-oxido-phosphoryl] hydrogen phosphate > InChI=1/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/p-2/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1/fC30H50O7P2/h31H/q-2 > 584.303177 > C30H50O7P2-2 > 584.661322 > CC(=CCCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)COP(=O)([O-])OP(=O)(O)[O-])C)C)C > CC(=CCC/C(=C/CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC\C=C(/C)\CCC=C(C)C)COP(=O)([O-])OP(=O)(O)[O-])/C)/C)C > 119 > 584.303177 > -2 > 39 > 3 > 0 > 3 > 0 > 0 > 1 > 1 > 10 14 6 11 15 6 12 16 5 $$$$ 25105692 -OEChem-01110909372D 54 58 0 0 0 0 0 0 0999 V2000 9.4455 2.8340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.7347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.3725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9157 3.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 4.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4498 3.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 5.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1941 4.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0373 5.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9879 5.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -3.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -3.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.5169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 0.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 3.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 5.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7834 4.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9095 6.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4493 5.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 15 2 0 0 0 0 3 22 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 44 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > 25105692 > 1 > 639 > 3 > 2 > 5 > AAADceB7sABAAAAAAAAAAAAAAAAAAWJAAAA8YIAAAAAAAFgB9AAAHgQQAAAADCjB2AQxwcPAAAiMAiVSUACDAIAlChBIiJkIdMiIYDLg1ZGUIQholgLoyacYiICOAAAAAAAEACAAAAAAAAgAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzothiophene-2-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-benzothiophenecarboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzothiophene-2-carboxamide > InChI=1/C23H24N4O2S/c28-22(21-15-16-5-1-4-8-20(16)30-21)24-11-14-26-12-9-17(10-13-26)27-19-7-3-2-6-18(19)25-23(27)29/h1-8,15,17H,9-14H2,(H,24,28)(H,25,29)/f/h24-25H > 2.6 > 420.161997 > C23H24N4O2S > 420.52726 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=CC=CC=C5S4 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=CC=CC=C5S4 > 64.7 > 420.161997 > 0 > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 1 23 8 1 26 8 14 17 8 14 18 8 17 19 8 18 20 8 19 21 8 20 21 8 23 24 8 24 25 8 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 5 14 8 5 15 8 6 15 8 6 17 8 $$$$ 25105693 -OEChem-01110909372D 116115 0 1 0 0 0 0 0999 V2000 3.4030 -4.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -3.1340 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9030 -4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3187 9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8699 -7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4714 -6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 -6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 -7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0473 -8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0039 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6054 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7360 -8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3374 -7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9167 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3153 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 9.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5148 -9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9133 -10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6814 -10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3014 -9.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 38 1 0 0 0 0 2 43 1 0 0 0 0 42 3 1 1 0 0 0 3 44 1 0 0 0 0 4 38 2 0 0 0 0 5 46 1 0 0 0 0 6 44 2 0 0 0 0 7116 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 15 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 16 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 17 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 18 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 19 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 20 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 21 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 22 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 23 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 36 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 38 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 29 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 26 32 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 81 1 0 0 0 0 27 82 1 0 0 0 0 28 31 1 0 0 0 0 28 83 1 0 0 0 0 28 84 1 0 0 0 0 29 33 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 34 1 0 0 0 0 30 87 1 0 0 0 0 30 88 1 0 0 0 0 31 35 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 32 37 1 0 0 0 0 32 91 1 0 0 0 0 32 92 1 0 0 0 0 33 39 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 34 40 1 0 0 0 0 34 95 1 0 0 0 0 34 96 1 0 0 0 0 35 41 1 0 0 0 0 35 97 1 0 0 0 0 35 98 1 0 0 0 0 36 99 1 0 0 0 0 36100 1 0 0 0 0 36101 1 0 0 0 0 37 44 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 39 41 2 0 0 0 0 39104 1 0 0 0 0 40 45 1 0 0 0 0 40105 1 0 0 0 0 40106 1 0 0 0 0 41107 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 42108 1 0 0 0 0 43109 1 0 0 0 0 43110 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 45113 1 0 0 0 0 46114 1 0 0 0 0 46115 1 0 0 0 0 M CHG 1 8 -1 M END > 25105693 > 1 > 764 > 8 > 1 > 37 > AAADcfB8PAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAICCAAABRCIQCDSCIAAAAAgAAAICAEAAAgBABIAAQACAAAFgAAKAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate > [(2R)-3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] hydrogen phosphate > [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate > [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate > [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate > InChI=1/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/p-1/b18-17-/t35-/m1/s1/fC37H70O8P/h40H/q-1 > 673.480831 > C37H70O8P- > 673.920661 > CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC > CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC\C=C/CCCCCCCC > 122 > 673.480831 > -1 > 46 > 1 > 0 > 1 > 0 > 0 > 1 > 1 > 42 3 5 $$$$ 25105694 -OEChem-01110909372D 128127 0 1 0 0 0 0 0999 V2000 6.3301 -4.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -3.1340 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 -4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7971 -7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3986 -6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7099 -6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1085 -7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5760 -7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9745 -8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9311 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5326 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 9.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4124 10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6631 -8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2646 -7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8439 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2424 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4420 -9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8405 -10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6637 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 -10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 -9.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 37 1 0 0 0 0 2 43 1 0 0 0 0 42 3 1 1 0 0 0 3 44 1 0 0 0 0 4 37 2 0 0 0 0 5 45 1 0 0 0 0 6 44 2 0 0 0 0 7 47 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 14 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 15 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 16 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 17 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 18 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 19 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 20 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 21 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 22 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 23 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 34 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 37 1 0 0 0 0 23 77 1 0 0 0 0 23 78 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 25 29 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 32 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 31 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 33 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 35 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 36 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 38 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 39 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 34101 1 0 0 0 0 35 40 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36 41 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 38 44 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39 41 2 0 0 0 0 39108 1 0 0 0 0 40 46 1 0 0 0 0 40109 1 0 0 0 0 40110 1 0 0 0 0 41111 1 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 42112 1 0 0 0 0 43113 1 0 0 0 0 43114 1 0 0 0 0 45115 1 0 0 0 0 45116 1 0 0 0 0 46117 1 0 0 0 0 46118 1 0 0 0 0 46119 1 0 0 0 0 47 48 1 0 0 0 0 47120 1 0 0 0 0 47121 1 0 0 0 0 48 49 1 0 0 0 0 48122 1 0 0 0 0 48123 1 0 0 0 0 49 50 1 0 0 0 0 49124 1 0 0 0 0 49125 1 0 0 0 0 50126 1 0 0 0 0 50127 1 0 0 0 0 50128 1 0 0 0 0 M CHG 1 8 -1 M END > 25105694 > 1 > 825 > 8 > 0 > 41 > AAADcfB8PAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAACAACBSggAICCAAABRCIQCDSCIAAAAAgAAAICAEAAAgBABIAAQACAAAFgAAKAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > butyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate > butyl [(2R)-3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] phosphate > butyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate > butyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate > butyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate > InChI=1/C41H79O8P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(43)49-39(38-48-50(44,45)47-36-9-6-3)37-46-40(42)34-32-30-28-26-24-22-19-17-15-13-11-8-5-2/h20-21,39H,4-19,22-38H2,1-3H3,(H,44,45)/p-1/b21-20-/t39-/m1/s1/fC41H78O8P/q-1 > 729.543431 > C41H78O8P- > 730.026981 > CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCCC)OC(=O)CCCCCCCC=CCCCCCCCC > CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > 111 > 729.543431 > -1 > 50 > 1 > 0 > 1 > 0 > 0 > 1 > 1 > 42 3 5 $$$$ 25105695 -OEChem-01110909372D 129128 0 1 0 0 0 0 0999 V2000 6.3301 -4.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -3.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7971 -7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3986 -6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7099 -6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1085 -7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5760 -7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9745 -8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9311 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5326 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 9.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4124 10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6631 -8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2646 -7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8439 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2424 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4420 -9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8405 -10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6637 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 -10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 -9.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1401 -2.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 37 1 0 0 0 0 2 43 1 0 0 0 0 42 3 1 1 0 0 0 3 44 1 0 0 0 0 4 37 2 0 0 0 0 5 45 1 0 0 0 0 6 44 2 0 0 0 0 7 47 1 0 0 0 0 8126 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 13 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 15 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 17 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 18 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 19 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 20 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 21 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 22 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 23 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 34 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 37 1 0 0 0 0 23 77 1 0 0 0 0 23 78 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 25 29 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 32 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 31 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 33 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 35 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 36 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 38 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 39 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 34101 1 0 0 0 0 35 40 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36 41 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 38 44 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39 41 2 0 0 0 0 39108 1 0 0 0 0 40 46 1 0 0 0 0 40109 1 0 0 0 0 40110 1 0 0 0 0 41111 1 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 42112 1 0 0 0 0 43113 1 0 0 0 0 43114 1 0 0 0 0 45115 1 0 0 0 0 45116 1 0 0 0 0 46117 1 0 0 0 0 46118 1 0 0 0 0 46119 1 0 0 0 0 47 48 1 0 0 0 0 47120 1 0 0 0 0 47121 1 0 0 0 0 48 49 1 0 0 0 0 48122 1 0 0 0 0 48123 1 0 0 0 0 49 50 1 0 0 0 0 49124 1 0 0 0 0 49125 1 0 0 0 0 50127 1 0 0 0 0 50128 1 0 0 0 0 50129 1 0 0 0 0 M END > 25105695 > 1 > 833 > 8 > 1 > 41 > AAADcfB8PAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAICCAAABRCIQCDSCIAAAAAgAAAICAEAAAgBABIAAQACAAAFgAAKAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1R)-1-[(butoxy-hydroxy-phosphoryl)oxymethyl]-2-hexadecanoyloxy-ethyl] (Z)-octadec-9-enoate > (Z)-octadec-9-enoic acid [(1R)-1-[(butoxy-hydroxyphosphoryl)oxymethyl]-2-(1-oxohexadecoxy)ethyl] ester > [(2R)-1-(butoxy-hydroxyphosphoryl)oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate > [(2R)-1-(butoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] (Z)-octadec-9-enoate > (Z)-octadec-9-enoic acid [(1R)-1-[(butoxy-hydroxy-phosphoryl)oxymethyl]-2-hexadecanoyloxy-ethyl] ester > InChI=1/C41H79O8P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(43)49-39(38-48-50(44,45)47-36-9-6-3)37-46-40(42)34-32-30-28-26-24-22-19-17-15-13-11-8-5-2/h20-21,39H,4-19,22-38H2,1-3H3,(H,44,45)/b21-20-/t39-/m1/s1/f/h44H > 13 > 730.551256 > C41H79O8P > 731.034921 > CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCC)OC(=O)CCCCCCCC=CCCCCCCCC > CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > 108 > 730.551256 > 0 > 50 > 1 > 0 > 1 > 0 > 0 > 1 > 1 > 42 3 5 $$$$ 25105696 -OEChem-01110909372D 62 64 0 0 0 0 0 0 0999 V2000 6.2619 -4.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.8419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.6935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 4.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0561 4.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3668 5.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -3.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -3.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -1.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 0.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 3.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8854 2.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4983 2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0916 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7679 4.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1746 3.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 3.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3807 3.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 5.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4638 4.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0767 4.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6699 4.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9561 5.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5594 6.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7774 6.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 20 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 42 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END > 25105696 > 1 > 505 > 3 > 2 > 10 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgBAAAAHgAQAAAACCjBkAQzwIPAAACIACVSUACCAAAhAgAIiIEIdIiIYDLA0ZGUIAholgLIyCcYiICAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]octanamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]octanamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]caprylamide > InChI=1/C22H34N4O2/c1-2-3-4-5-6-11-21(27)23-14-17-25-15-12-18(13-16-25)26-20-10-8-7-9-19(20)24-22(26)28/h7-10,18H,2-6,11-17H2,1H3,(H,23,27)(H,24,28)/f/h23-24H > 3.6 > 386.268176 > C22H34N4O2 > 386.53096 > CCCCCCCC(=O)NCCN1CCC(CC1)N2C3=CC=CC=C3NC2=O > CCCCCCCC(=O)NCCN1CCC(CC1)N2C3=CC=CC=C3NC2=O > 64.7 > 386.268176 > 0 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 13 16 8 13 17 8 16 18 8 17 19 8 18 21 8 19 21 8 4 13 8 4 14 8 5 14 8 5 16 8 $$$$ 25105697 -OEChem-01110909372D 86 88 0 0 0 0 0 0 0999 V2000 6.2619 -6.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 -1.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -3.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -6.0070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -7.6164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 -1.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -5.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -4.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -3.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -3.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -6.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -1.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -7.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0561 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3668 3.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3453 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6559 4.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6344 4.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9451 5.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9236 6.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2343 7.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2128 7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5234 8.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -5.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -4.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -4.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -5.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -4.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -2.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -3.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -4.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -3.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 -1.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 -2.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -2.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 -2.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -8.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 -0.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0767 2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6699 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3462 4.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7529 3.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 3.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4638 2.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3658 3.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9591 3.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 0.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3807 1.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7679 1.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1746 1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6354 5.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0421 4.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4983 -0.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0916 0.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 0.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8854 0.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6550 4.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2483 4.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9245 6.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3313 5.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9442 5.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5374 6.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2137 7.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6205 7.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2333 6.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8266 7.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1128 8.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7160 8.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9341 8.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 29 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 50 1 0 0 0 0 6 15 1 0 0 0 0 6 29 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 15 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 18 27 1 0 0 0 0 18 53 1 0 0 0 0 19 27 2 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 28 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 31 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 71 1 0 0 0 0 28 30 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 33 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 35 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 M END > 25105697 > 1 > 620 > 3 > 2 > 18 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgBAAAAHgAQAAAACCjBkAQzwIPAAACIACVSUACCAAAhAgAIiIEIdIiIYDLA0ZGUIAholgLIyCcYiICAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]hexadecanamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]hexadecanamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]palmitamide > InChI=1/C30H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(35)31-22-25-33-23-20-26(21-24-33)34-28-18-16-15-17-27(28)32-30(34)36/h15-18,26H,2-14,19-25H2,1H3,(H,31,35)(H,32,36)/f/h31-32H > 6.7 > 498.393377 > C30H50N4O2 > 498.7436 > CCCCCCCCCCCCCCCC(=O)NCCN1CCC(CC1)N2C3=CC=CC=C3NC2=O > CCCCCCCCCCCCCCCC(=O)NCCN1CCC(CC1)N2C3=CC=CC=C3NC2=O > 64.7 > 498.393377 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 13 16 8 13 17 8 16 18 8 17 19 8 18 27 8 19 27 8 4 13 8 4 14 8 5 14 8 5 16 8 $$$$ 25105698 -OEChem-01110909372D 51 54 0 0 0 0 0 0 0999 V2000 10.7669 4.0944 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 5.5830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.5747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 2.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 4.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 29 1 0 0 0 0 3 16 2 0 0 0 0 4 23 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 8 17 1 0 0 0 0 8 23 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 M END > 25105698 > 1 > 599 > 5 > 2 > 5 > AAADceB7sYAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHwAQAAAADCjBmAwxwIPAAACIAiVSUACCAAAlAgAIiIEIdMiIYDLA1ZGUIQholgLIyacYiACOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide > 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 3,4-difluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 3,4-difluoro-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > InChI=1/C21H22F2N4O2/c22-16-6-5-14(13-17(16)23)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)/f/h24-25H > 2.5 > 400.171082 > C21H22F2N4O2 > 400.421786 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=C(C=C4)F)F > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=C(C=C4)F)F > 64.7 > 400.171082 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 15 18 8 15 19 8 18 20 8 19 21 8 20 22 8 21 22 8 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 6 15 8 6 16 8 7 16 8 7 18 8 $$$$ 25105699 -OEChem-01110909372D 51 54 0 0 0 0 0 0 0999 V2000 10.7669 4.0944 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 5.5830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.5747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 2.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 4.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 29 1 0 0 0 0 3 16 2 0 0 0 0 4 23 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 8 17 1 0 0 0 0 8 23 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 M END > 25105699 > 1 > 599 > 3 > 2 > 5 > AAADceB7sAAGAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHgIQAAAADCrBmCQxwIPAAACIAiVSUACCAAAlBwAIisEIdsiIYDLB15GUIQholgLIyacYiACOBAAAIAAAACQIAABAAAAASAAAAAAAAA== > 3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > 3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide > 3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 3,4-dichloro-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > InChI=1/C21H22Cl2N4O2/c22-16-6-5-14(13-17(16)23)20(28)24-9-12-26-10-7-15(8-11-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)/f/h24-25H > 3.5 > 432.111981 > C21H22Cl2N4O2 > 433.33098 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=C(C=C4)Cl)Cl > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=C(C=C4)Cl)Cl > 64.7 > 432.111981 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 15 18 8 15 19 8 18 20 8 19 21 8 20 22 8 21 22 8 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 6 15 8 6 16 8 7 16 8 7 18 8 $$$$ 25105700 -OEChem-01110909372D 51 54 0 0 0 0 0 0 0999 V2000 7.4742 5.3767 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 4.3006 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.3264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.7874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 3.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 4.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -1.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 0.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 5.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 16 2 0 0 0 0 4 23 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 8 17 1 0 0 0 0 8 23 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 51 1 0 0 0 0 M END > 25105700 > 1 > 589 > 3 > 2 > 5 > AAADceB7sAAGAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHgIQAAAADCrBmCQxwIPAAACIAiVSUACCAAAlBwAIiIEIdsiIYDLB15GUIQholgLIyacYiACOAAAAIACAACAAAABAAQAAQAAAAAAAAA== > 3,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > 3,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide > 3,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 3,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 3,5-dichloro-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > InChI=1/C21H22Cl2N4O2/c22-15-11-14(12-16(23)13-15)20(28)24-7-10-26-8-5-17(6-9-26)27-19-4-2-1-3-18(19)25-21(27)29/h1-4,11-13,17H,5-10H2,(H,24,28)(H,25,29)/f/h24-25H > 3.5 > 432.111981 > C21H22Cl2N4O2 > 433.33098 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=CC(=C4)Cl)Cl > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=CC(=C4)Cl)Cl > 64.7 > 432.111981 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 15 18 8 15 19 8 18 20 8 19 21 8 20 22 8 21 22 8 24 25 8 24 26 8 25 28 8 26 27 8 27 29 8 28 29 8 6 15 8 6 16 8 7 16 8 7 18 8 $$$$ 25105701 -OEChem-01110909372D 54 57 0 0 0 0 0 0 0999 V2000 6.2619 -4.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.5747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 5.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 2.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 4.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 4.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0206 5.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6238 6.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8419 5.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 42 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END > 25105701 > 1 > 553 > 3 > 2 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHgAQAAAADCjBmAQzwIPAAACIAiVSUACCAAAlAgAIiIEIdMiIYDLA1ZGUIQholgLIyacYiACOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA== > 4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > 4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide > 4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-4-methyl-benzamide > InChI=1/C22H26N4O2/c1-16-6-8-17(9-7-16)21(27)23-12-15-25-13-10-18(11-14-25)26-20-5-3-2-4-19(20)24-22(26)28/h2-9,18H,10-15H2,1H3,(H,23,27)(H,24,28)/f/h23-24H > 2.7 > 378.205576 > C22H26N4O2 > 378.46744 > CC1=CC=C(C=C1)C(=O)NCCN2CCC(CC2)N3C4=CC=CC=C4NC3=O > CC1=CC=C(C=C1)C(=O)NCCN2CCC(CC2)N3C4=CC=CC=C4NC3=O > 64.7 > 378.205576 > 0 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 13 16 8 13 17 8 16 18 8 17 19 8 18 20 8 19 20 8 22 23 8 22 24 8 23 25 8 24 26 8 25 27 8 26 27 8 4 13 8 4 14 8 5 14 8 5 16 8 $$$$ 25105702 -OEChem-01110909372D 55 58 0 0 0 0 0 0 0999 V2000 6.2619 -4.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.0967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 5.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4097 5.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 0.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 3.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 4.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0172 5.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8238 5.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6024 6.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 43 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END > 25105702 > 1 > 594 > 3 > 2 > 6 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHgAQAAAADCjBmAQxwIPAAACIAiVSUACCAAAlAgAIiIEIdMiIYDLA1ZGUIQholgLIyacYiACOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-4-vinyl-benzamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-4-vinylbenzamide > 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-4-vinyl-benzamide > InChI=1/C23H26N4O2/c1-2-17-7-9-18(10-8-17)22(28)24-13-16-26-14-11-19(12-15-26)27-21-6-4-3-5-20(21)25-23(27)29/h2-10,19H,1,11-16H2,(H,24,28)(H,25,29)/f/h24-25H > 3.2 > 390.205576 > C23H26N4O2 > 390.47814 > C=CC1=CC=C(C=C1)C(=O)NCCN2CCC(CC2)N3C4=CC=CC=C4NC3=O > C=CC1=CC=C(C=C1)C(=O)NCCN2CCC(CC2)N3C4=CC=CC=C4NC3=O > 64.7 > 390.205576 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 13 16 8 13 17 8 16 18 8 17 19 8 18 20 8 19 20 8 22 23 8 22 24 8 23 25 8 24 26 8 25 27 8 26 27 8 4 13 8 4 14 8 5 14 8 5 16 8 $$$$ 25105703 -OEChem-01110909372D 63 66 0 0 0 0 0 0 0999 V2000 6.2619 -4.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 5.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 3.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 5.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.0967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 4.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4348 3.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4097 5.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 0.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3679 5.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8891 4.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 4.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9733 2.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8488 2.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8962 3.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5376 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0164 5.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2819 6.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 24 2 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 29 1 0 0 0 0 4 32 1 0 0 0 0 5 30 1 0 0 0 0 5 33 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 25105703 > 1 > 657 > 6 > 2 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHgAQAAAADCzBmAYzxoPABACIAiVSUACCCAAlIgAIiIEO/MiNZzLE9ZuUMSpt1hfK6ae6/B7OIAABCAAAQCBAAAIQAACAQAAAAAAAAA== > 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide > 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 3,4,5-trimethoxy-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-3,4,5-trimethoxy-benzamide > InChI=1/C24H30N4O5/c1-31-20-14-16(15-21(32-2)22(20)33-3)23(29)25-10-13-27-11-8-17(9-12-27)28-19-7-5-4-6-18(19)26-24(28)30/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,29)(H,26,30)/f/h25-26H > 1.6 > 454.22162 > C24H30N4O5 > 454.5188 > COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCC(CC2)N3C4=CC=CC=C4NC3=O > COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCC(CC2)N3C4=CC=CC=C4NC3=O > 92.4 > 454.22162 > 0 > 33 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 16 19 8 16 20 8 19 21 8 20 22 8 21 23 8 22 23 8 25 26 8 25 27 8 26 29 8 27 28 8 28 30 8 29 30 8 7 16 8 7 17 8 8 17 8 8 19 8 $$$$ 25105704 -OEChem-01110909372D 57 61 0 0 0 0 0 0 0999 V2000 5.5061 -2.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 0.6153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -0.8847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -2.0827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.1153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5969 -0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5969 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 2.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4190 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4190 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 2.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -1.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 -1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 -1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 0.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 -0.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0735 -0.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7274 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 0.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 0.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -2.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -1.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 1.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 2.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 3.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4118 -0.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4118 3.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8608 0.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8608 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > 25105704 > 1 > 647 > 3 > 2 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFjBVAAAHgAQAAAADCjBmAQxwMPAAACIAiVSUACCAAAlAgAIiIEIdMiIYDLA1ZGUIQholgLIyacYiMCOwAACAAAQACCAAAQAACAAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]naphthalene-2-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-naphthalenecarboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]naphthalene-2-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]naphthalene-2-carboxamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2-naphthamide > InChI=1/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)/f/h26-27H > 3.5 > 414.205576 > C25H26N4O2 > 414.49954 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=CC=CC=C5C=C4 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=CC=CC=C5C=C4 > 64.7 > 414.205576 > 0 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 13 16 8 13 17 8 16 18 8 17 19 8 18 20 8 19 20 8 22 23 8 22 24 8 23 25 8 24 27 8 25 26 8 25 28 8 26 27 8 26 29 8 28 30 8 29 31 8 30 31 8 4 13 8 4 14 8 5 14 8 5 16 8 $$$$ 25105705 -OEChem-01110909372D 61 66 0 0 0 0 0 0 0999 V2000 3.3631 -3.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 2.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 6.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 -1.0885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 -3.9308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 -5.2202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 1.5571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 -2.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 -2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -2.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 -1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 -0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -4.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1642 -4.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 -5.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6821 -4.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 -6.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0766 -5.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 -6.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 3.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 4.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 4.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 4.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 4.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 5.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 5.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 3.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 4.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 5.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 -3.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4283 -3.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0268 -2.8802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2288 -1.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3855 -2.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2779 -2.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1212 -1.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 -0.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 -1.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -0.4385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 0.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3455 0.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 -5.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 -4.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 1.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -6.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6923 -5.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 -7.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 3.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 5.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 4.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 5.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 3.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 4.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 22 2 0 0 0 0 3 28 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 49 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 29 2 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 31 2 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 33 2 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 30 56 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 25105705 > 1 > 825 > 4 > 2 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAeIAAAA8YMEAAAAAAHgBUAAAHgAQAAAADCzBmAQxwIPAAACIAqVSUACCAAAlAgAIiIEIdMiIYDLA1ZGUIQholgLIyacYi8CugAACAAAQACAAAAQAACAAQQAACAAAAA== > 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]fluorene-4-carboxamide > 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-4-fluorenecarboxamide > 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide > 9-oxo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]fluorene-4-carboxamide > 9-keto-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]fluorene-4-carboxamide > InChI=1/C28H26N4O3/c33-26-20-7-2-1-6-19(20)25-21(26)8-5-9-22(25)27(34)29-14-17-31-15-12-18(13-16-31)32-24-11-4-3-10-23(24)30-28(32)35/h1-11,18H,12-17H2,(H,29,34)(H,30,35)/f/h29-30H > 3.7 > 466.200491 > C28H26N4O3 > 466.53104 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC=CC5=C4C6=CC=CC=C6C5=O > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC=CC5=C4C6=CC=CC=C6C5=O > 81.8 > 466.200491 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 14 17 8 14 18 8 17 19 8 18 20 8 19 21 8 20 21 8 23 24 8 23 29 8 24 26 8 25 27 8 25 31 8 26 30 8 27 33 8 29 32 8 30 32 8 31 34 8 33 35 8 34 35 8 5 14 8 5 15 8 6 15 8 6 17 8 $$$$ 25105706 -OEChem-01110909372D 58 62 0 1 0 0 0 0 0999 V2000 8.8564 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.8156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.2767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 3.4269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4993 2.4484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2436 3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6252 4.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6467 3.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9359 5.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9788 4.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 5.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2895 5.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6316 3.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8802 2.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7315 2.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5356 3.6631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -3.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -3.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 0.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 3.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5425 5.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3722 4.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4606 6.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8754 6.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 22 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 4 46 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 6 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 1 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 19 2 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 23 1 0 0 0 0 19 49 1 0 0 0 0 20 24 2 0 0 0 0 20 50 1 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 M END > 25105706 > 1 > 627 > 3 > 2 > 6 > AAADceB7sAAAAAAAAAAAAAAAGAAAAWAAAAA8YIAAAAAAAFgBQAAAHgAQAAAADSjBmAQxwIPAAACIAiVSUACCAAAhAgAIiIEIdIiIYDLA0ZGUIAholgLIyCcYiMCOgAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > (1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2-phenyl-cyclopropane-1-carboxamide > (1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-phenyl-1-cyclopropanecarboxamide > (1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide > (1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenyl-cyclopropane-1-carboxamide > (1R,2R)-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2-phenyl-cyclopropane-1-carboxamide > InChI=1/C24H28N4O2/c29-23(20-16-19(20)17-6-2-1-3-7-17)25-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)26-24(28)30/h1-9,18-20H,10-16H2,(H,25,29)(H,26,30)/t19-,20+/m0/s1/f/h25-26H > 2.1 > 404.221226 > C24H28N4O2 > 404.50472 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4CC4C5=CC=CC=C5 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)[C@@H]4C[C@H]4C5=CC=CC=C5 > 64.7 > 404.221226 > 0 > 30 > 2 > 0 > 0 > 0 > 0 > 1 > 4 > 10 19 8 10 20 8 19 23 8 20 24 8 21 25 8 21 27 8 23 26 8 24 26 8 25 28 8 27 29 8 28 30 8 29 30 8 5 21 8 5 22 8 6 22 8 6 25 8 7 10 6 8 11 5 $$$$ 25105707 -OEChem-01110909372D 61 66 0 0 0 0 0 0 0999 V2000 4.5042 3.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -1.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 0.5226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 3.5226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 5.0524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -1.9774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -3.4774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 2.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 2.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0641 4.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 4.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7535 5.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0427 3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4213 5.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7105 4.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -2.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 5.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -4.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -4.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -5.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -5.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -3.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -3.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -5.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -5.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -4.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -5.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -5.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 2.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1813 2.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 1.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 1.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1813 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4715 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -0.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1813 -0.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 -1.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3933 5.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2353 3.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 -2.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2287 6.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3172 4.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8139 6.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -3.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -3.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -6.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -6.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -4.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 -4.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -6.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -6.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 21 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 48 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 6 50 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 33 1 0 0 0 0 29 56 1 0 0 0 0 30 34 1 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 34 2 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > 25105707 > 1 > 731 > 3 > 2 > 4 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAA8YMEAAAAAAFgB/AAAHgAQAAAADCjBHgQxwPPMEACoAyRiVACCgCAhAiAImKA4dJiIYOLA0ZGUIAholgLIyCcQgMAOgAAAAAACACAAAAAAAAQAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]carbazole-9-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-9-carbazolecarboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]carbazole-9-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]carbazole-9-carboxamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]carbazole-9-carboxamide > InChI=1/C27H27N5O2/c33-26(32-23-10-4-1-7-20(23)21-8-2-5-11-24(21)32)28-15-18-30-16-13-19(14-17-30)31-25-12-6-3-9-22(25)29-27(31)34/h1-12,19H,13-18H2,(H,28,33)(H,29,34)/f/h28-29H > 3.3 > 453.216475 > C27H27N5O2 > 453.53558 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)N4C5=CC=CC=C5C6=CC=CC=C64 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)N4C5=CC=CC=C5C6=CC=CC=C64 > 69.6 > 453.216475 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 14 17 8 14 18 8 17 19 8 18 20 8 19 22 8 20 22 8 23 25 8 23 27 8 24 26 8 24 28 8 25 26 8 25 29 8 26 30 8 27 31 8 28 32 8 29 33 8 30 34 8 31 33 8 32 34 8 4 14 8 4 15 8 5 15 8 5 17 8 7 23 8 7 24 8 $$$$ 25105708 -OEChem-01110909372D 55 58 0 0 0 0 0 0 0999 V2000 9.4778 2.8345 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.0967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.4715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 3.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 4.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 5.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4097 5.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 0.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 -0.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 3.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8854 2.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1810 3.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5139 4.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6843 5.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0172 5.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6024 6.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 15 2 0 0 0 0 3 22 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 M END > 25105708 > 1 > 561 > 3 > 2 > 7 > AAADceB7sABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHgQQAAAACCjF0ASxwYPAAAiIACVSUACCAAAhChAIiJgIdIiIYCLg0ZGUIAholgLoyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2-phenylsulfanyl-acetamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-(phenylthio)acetamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanyl-ethanamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2-(phenylthio)acetamide > InChI=1/C22H26N4O2S/c27-21(16-29-18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)26-20-9-5-4-8-19(20)24-22(26)28/h1-9,17H,10-16H2,(H,23,27)(H,24,28)/f/h23-24H > 2.5 > 410.177647 > C22H26N4O2S > 410.53244 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)CSC4=CC=CC=C4 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)CSC4=CC=CC=C4 > 64.7 > 410.177647 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 14 17 8 14 18 8 17 19 8 18 20 8 19 21 8 20 21 8 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 5 14 8 5 15 8 6 15 8 6 17 8 $$$$ 25105709 -OEChem-01110909372D 49 52 0 0 0 0 0 0 0999 V2000 6.2619 -3.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.0842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.7674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.3769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.1914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 4.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4509 3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5021 4.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -0.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -1.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -1.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 0.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 1.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 1.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 2.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2929 4.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9518 3.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3115 5.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9548 5.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 22 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 40 1 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 6 43 1 0 0 0 0 7 23 1 0 0 0 0 7 25 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 M END > 25105709 > 1 > 520 > 4 > 3 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAFgBwAAAHgAQAAAACCjBlgQ9wJPJkACoATV3VACCgCA3AiAI2aG4dNiIYPLA1bGUIQholgLIyacYAQAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-1H-pyrrole-2-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-1H-pyrrole-2-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide > N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide > N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-1H-pyrrole-2-carboxamide > InChI=1/C19H23N5O2/c25-18(16-5-3-9-20-16)21-10-13-23-11-7-14(8-12-23)24-17-6-2-1-4-15(17)22-19(24)26/h1-6,9,14,20H,7-8,10-13H2,(H,21,25)(H,22,26)/f/h21-22H > 1 > 353.185175 > C19H23N5O2 > 353.41822 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC=CN4 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC=CN4 > 80.5 > 353.185175 > 0 > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 14 17 8 14 18 8 17 19 8 18 20 8 19 21 8 20 21 8 23 24 8 24 26 8 25 26 8 4 14 8 4 15 8 5 15 8 5 17 8 7 23 8 7 25 8 $$$$ 25105710 -OEChem-01110909372D 48 51 0 0 0 0 0 0 0999 V2000 10.2626 4.7661 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.1947 5.4420 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 3.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.3916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.2432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.8527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.7156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4509 3.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 4.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5021 4.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 0.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 2.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9518 2.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 17 2 0 0 0 0 4 24 2 0 0 0 0 5 25 1 0 0 0 0 5 28 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 M END > 25105710 > 1 > 588 > 4 > 2 > 5 > AAADceB7sAAAGAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgBwAAAHgBQAAABqCzBkAQxxIPABECIAKVSUAKCCAAlIgQIiIHOfOiuZjLE9b+XOSjs1hPY67eYFwIAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]furan-2-carboxamide > 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-furancarboxamide > 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide > 4,5-dibromo-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide > 4,5-dibromo-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-2-furamide > InChI=1/C19H20Br2N4O3/c20-13-11-16(28-17(13)21)18(26)22-7-10-24-8-5-12(6-9-24)25-15-4-2-1-3-14(15)23-19(25)27/h1-4,11-12H,5-10H2,(H,22,26)(H,23,27)/f/h22-23H > 2.4 > 511.988169 > C19H20Br2N4O3 > 512.1951 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=C(O4)Br)Br > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC(=C(O4)Br)Br > 77.8 > 509.990216 > 0 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 16 19 8 16 20 8 19 21 8 20 22 8 21 23 8 22 23 8 25 26 8 26 27 8 27 28 8 5 25 8 5 28 8 7 16 8 7 17 8 8 17 8 8 19 8 $$$$ 25105711 -OEChem-01110909372D 63 67 0 0 0 0 0 0 0999 V2000 9.4312 5.5830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 1.4941 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 3.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.5747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 2.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 2.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 2.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 0.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 4.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 0.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 4.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 3.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 3 17 2 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 51 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 35 2 0 0 0 0 31 59 1 0 0 0 0 32 36 2 0 0 0 0 32 60 1 0 0 0 0 33 37 2 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 35 37 1 0 0 0 0 35 63 1 0 0 0 0 M END > 25105711 > 1 > 786 > 6 > 1 > 6 > AAADceB7sYAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgBUAAAHwAQAAAADCjBmAwxwIPAAACIAiVSUACCAAAlAgAIiAEIdMiIYDLA1ZGUIQholiLIyacYiACOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > 4-fluoro-N-[(4-fluorophenyl)-oxomethyl]-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide > 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 4-fluoro-N-(4-fluorophenyl)carbonyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > InChI=1/C28H26F2N4O3/c29-21-9-5-19(6-10-21)26(35)33(27(36)20-7-11-22(30)12-8-20)18-17-32-15-13-23(14-16-32)34-25-4-2-1-3-24(25)31-28(34)37/h1-12,23H,13-18H2,(H,31,37)/f/h31H > 4.8 > 504.197297 > C28H26F2N4O3 > 504.527846 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCN(C(=O)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)F > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCN(C(=O)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)F > 73 > 504.197297 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 16 19 8 16 20 8 19 21 8 20 22 8 21 23 8 22 23 8 26 28 8 26 30 8 27 29 8 27 31 8 28 32 8 29 33 8 30 34 8 31 35 8 32 36 8 33 37 8 34 36 8 35 37 8 7 16 8 7 17 8 8 17 8 8 19 8 $$$$ 25105712 -OEChem-01110909372D 51 54 0 0 0 0 0 0 0999 V2000 2.0000 -4.7136 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0116 2.6686 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -3.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7225 1.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 -0.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.9089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -4.5184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0761 2.0499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -1.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -3.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7655 1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0546 2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3653 3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3438 3.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6545 4.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0081 4.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9866 5.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -2.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 -0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8046 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -2.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4473 -1.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 0.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -0.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 -1.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5267 -0.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7664 1.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 0.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7860 0.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3793 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -5.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6621 2.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0908 3.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2611 4.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5940 5.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 5.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 23 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 43 1 0 0 0 0 8 18 1 0 0 0 0 8 23 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > 25105712 > 1 > 599 > 3 > 2 > 5 > AAADceB7sAAGAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHgIQAAAADCrBmCQxwIPAAACIAiVSUACCAAAlBwAIiIEIdsiIYDLB15GUIQholgLIzacYiACOAABAAAIBACAAAIAABAIAQAAAAAAAAA== > 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]benzamide > 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide > 2-chloro-N-[2-[4-(5-chloro-2-keto-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide > InChI=1/C21H22Cl2N4O2/c22-14-5-6-19-18(13-14)25-21(29)27(19)15-7-10-26(11-8-15)12-9-24-20(28)16-3-1-2-4-17(16)23/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)/f/h24-25H > 3.5 > 432.111981 > C21H22Cl2N4O2 > 433.33098 > C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCNC(=O)C4=CC=CC=C4Cl > C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCNC(=O)C4=CC=CC=C4Cl > 64.7 > 432.111981 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 15 17 8 15 19 8 17 20 8 19 21 8 20 22 8 21 22 8 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 6 15 8 6 16 8 7 16 8 7 17 8 $$$$ 25105713 -OEChem-01110909372D 60 64 0 1 0 0 0 0 0999 V2000 2.0000 0.1390 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -2.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9055 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 0.6153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8433 -0.8847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 -2.0827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0395 1.1153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7093 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7093 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 -0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3074 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1734 0.6153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9355 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7402 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1734 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9055 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7715 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6375 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7715 2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5036 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5036 2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6375 2.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3975 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3975 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3036 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3036 2.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7093 -1.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4973 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0988 0.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 -1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9739 -1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9739 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6534 -0.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0520 -0.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9089 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7104 0.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 -2.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5534 -0.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1734 -1.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7934 -0.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0395 1.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 -1.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 1.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6375 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2346 2.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6375 3.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3903 -0.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3903 3.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8393 0.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8393 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 46 1 0 0 0 0 14 7 1 1 0 0 0 7 23 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 29 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 M END > 25105713 > 1 > 712 > 3 > 2 > 5 > AAADceB7sAAEAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFjBVAAAHgIQAAAADCrBmCQzwMPAAACIAiVSUACCAAAlBwAIiIEIdsiIYDLB15GUIQholgLIyacYiMCOwABCAAIQACCAAIQABCAAQAAAAAAAAA== > N-[(1S)-2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]-1-methyl-ethyl]naphthalene-2-carboxamide > N-[(1S)-2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl]-2-naphthalenecarboxamide > N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide > N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide > N-[(1S)-2-[4-(5-chloro-2-keto-3H-benzimidazol-1-yl)-1-piperidyl]-1-methyl-ethyl]-2-naphthamide > InChI=1/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1/f/h28-29H > 4.6 > 462.182254 > C26H27ClN4O2 > 462.97118 > CC(CN1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=O)NC(=O)C4=CC5=CC=CC=C5C=C4 > C[C@@H](CN1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=O)NC(=O)C4=CC5=CC=CC=C5C=C4 > 64.7 > 462.182254 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > 4 > 15 17 8 15 19 8 17 20 8 19 21 8 20 22 8 21 22 8 24 25 8 24 26 8 25 27 8 26 29 8 27 28 8 27 30 8 28 29 8 28 31 8 30 32 8 31 33 8 32 33 8 5 15 8 5 16 8 6 16 8 6 17 8 14 7 5 $$$$ 25105714 -OEChem-01110909372D 57 60 0 1 0 0 0 0 0999 V2000 2.0000 -2.1971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.1971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.1971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2788 -2.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -3.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5878 0.3439 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0000 -0.4651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5388 -0.9651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.3311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5878 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5388 0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2788 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3006 1.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9479 2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9916 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6389 2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6607 3.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0826 0.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 -1.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0826 -1.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6077 1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 0.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 -1.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6077 -1.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1554 -0.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6677 0.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0404 -1.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1077 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4174 -0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3923 -1.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0826 -1.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8858 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5544 1.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -0.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3852 2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0537 3.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4691 3.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -3.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -0.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -3.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -0.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 15 2 0 0 0 0 5 25 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 43 1 0 0 0 0 9 19 1 0 0 0 0 9 25 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 23 2 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 M END > 25105714 > 1 > 665 > 7 > 2 > 5 > AAADceB7sYAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABQAAAHwAQAAAADIjBmBQxwIPAAACIAiVSUACCAAAlAgAIiIGIZMiIYDLA1bGUIQholwLIyacciACOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide > N-[2-(4-keto-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-(trifluoromethyl)benzamide > InChI=1/C23H25F3N4O2/c24-23(25,26)18-8-6-17(7-9-18)20(31)27-12-15-29-13-10-22(11-14-29)21(32)28-16-30(22)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,27,31)(H,28,32)/f/h27-28H > 3.6 > 446.192961 > C23H25F3N4O2 > 446.46541 > C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC=C(C=C4)C(F)(F)F > C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC=C(C=C4)C(F)(F)F > 64.7 > 446.192961 > 0 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 18 20 8 18 21 8 20 22 8 21 23 8 22 24 8 23 24 8 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 30 31 8 $$$$ 25105715 -OEChem-01110909372D 60 64 0 1 0 0 0 0 0999 V2000 11.8480 -1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -2.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1570 0.7360 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.5693 -0.0730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 -0.5730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -0.9391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5693 -0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0693 -0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0693 0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0693 -0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0693 0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1570 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5693 -0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8480 1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 -0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8699 1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5172 2.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5609 2.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2081 3.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2300 3.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5693 -1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 -1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 -2.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 -0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -2.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 -1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -3.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -3.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9616 -1.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6519 -1.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6519 1.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9616 1.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4866 -1.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1769 -1.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1769 1.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4866 1.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7247 0.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 1.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6097 -0.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6769 0.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9867 0.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9616 -1.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 -1.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 1.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1236 2.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7593 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9544 2.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6230 3.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0384 4.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 -3.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7593 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -4.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -4.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 22 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 43 1 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 48 1 0 0 0 0 18 20 2 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 28 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > 25105715 > 1 > 669 > 4 > 2 > 5 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAADBVAAAHgAQAAAADIjBmAQxwMPAAACIAiVSUACCAAAlAgAIiIGIZMiIYDLA1bGUIQholwLIyacciMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-2-naphthalenecarboxamide > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide > N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide > N-[2-(4-keto-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-2-naphthamide > InChI=1/C26H28N4O2/c31-24(22-11-10-20-6-4-5-7-21(20)18-22)27-14-17-29-15-12-26(13-16-29)25(32)28-19-30(26)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2,(H,27,31)(H,28,32)/f/h27-28H > 4 > 428.221226 > C26H28N4O2 > 428.52612 > C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5C=C4 > C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5C=C4 > 64.7 > 428.221226 > 0 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 15 17 8 15 18 8 17 19 8 18 20 8 19 21 8 20 21 8 23 24 8 23 25 8 24 26 8 25 28 8 26 27 8 26 29 8 27 28 8 27 30 8 29 31 8 30 32 8 31 32 8 $$$$ 25105716 -OEChem-01110909372D 66 70 0 1 0 0 0 0 0999 V2000 8.0000 2.9321 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2641 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.2788 -2.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -3.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5878 0.2770 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0000 -0.5321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 -1.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.3981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5878 -1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2788 1.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3006 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9479 1.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9916 2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6389 2.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6607 3.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0826 0.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -2.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0826 -1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 0.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 0.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 -1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 -2.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1554 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6677 0.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0404 -1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4174 -0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 -2.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 -1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8858 0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5544 1.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3852 2.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0537 3.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 3.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 2.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -0.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 38 1 0 0 0 0 3 15 2 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 49 1 0 0 0 0 9 19 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 21 23 2 0 0 0 0 21 55 1 0 0 0 0 22 24 2 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 29 59 1 0 0 0 0 30 34 1 0 0 0 0 30 60 1 0 0 0 0 31 35 2 0 0 0 0 31 61 1 0 0 0 0 32 36 2 0 0 0 0 32 62 1 0 0 0 0 33 37 2 0 0 0 0 33 63 1 0 0 0 0 34 38 2 0 0 0 0 34 64 1 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 36 38 1 0 0 0 0 36 66 1 0 0 0 0 M END > 25105716 > 1 > 809 > 5 > 1 > 6 > AAADceB7sAAGAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAAABUAAAHgIQAAAADIrBmCQxwIPAAACIAiVSUACCAAAlBwAIiIGIZsiIYDLB17GUIQhohyLIyacciACOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA== > 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide > 4-chloro-N-[(4-chlorophenyl)-oxomethyl]-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide > 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide > 4-chloro-N-(4-chlorophenyl)carbonyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide > 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-keto-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide > InChI=1/C29H28Cl2N4O3/c30-23-10-6-21(7-11-23)26(36)34(27(37)22-8-12-24(31)13-9-22)19-18-33-16-14-29(15-17-33)28(38)32-20-35(29)25-4-2-1-3-5-25/h1-13H,14-20H2,(H,32,38)/f/h32H > 6.2 > 550.153846 > C29H28Cl2N4O3 > 551.46362 > C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCN(C(=O)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)Cl > C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCN(C(=O)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)Cl > 73 > 550.153846 > 0 > 38 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 18 20 8 18 21 8 20 22 8 21 23 8 22 24 8 23 24 8 27 29 8 27 31 8 28 30 8 28 32 8 29 33 8 30 34 8 31 35 8 32 36 8 33 37 8 34 38 8 35 37 8 36 38 8 $$$$