46902354 -OEChem-04252410182D 59 63 0 1 0 0 0 0 0999 V2000 8.4747 -4.3288 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 3.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 2.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 3.1360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 0.2207 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5124 2.0186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 2.3929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6200 1.1730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6028 1.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 1.9471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3181 2.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 2.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6564 4.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 3.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 4.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2959 1.7429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0150 3.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2533 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6086 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9027 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 4.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 -1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 4.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 -1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 -2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8414 -2.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 -3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1694 -3.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 1.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 1.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 0.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8821 2.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2703 4.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 4.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 4.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 4.6236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9029 1.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5113 1.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8735 -0.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7048 -0.8088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0197 0.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 0.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1975 0.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7714 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 -0.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0339 0.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5691 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 4.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 1.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 4.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 3.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9527 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2808 -2.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4473 -2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7754 -3.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 12 2 0 0 0 0 16 3 1 1 0 0 0 3 51 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 8 5 1 1 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 32 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 36 1 6 0 0 0 11 14 2 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 1 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 M END > 46902354 > 1 > 655 > 3 > 2 > 4 > AAADceB7MAAEAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix9AAAHgIQCAAADT7hniYywPPJkgCoAyVyVACCgCAhByAImSE4ZpgIcP7B05GUYAhmtgDIyAeY2eOehAAAAAACAAAIAAAAAAQAAAAAAAAAAA== > (2S,3R,12bS)-2-[(4-chlorophenyl)methyl-methyl-amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[(4-chlorophenyl)methyl-methylamino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[(4-chlorophenyl)methyl-methylamino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[(4-chlorophenyl)methyl-methylamino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[(4-chlorophenyl)methyl-methyl-amino]-3-[(1S)-1-oxidanylethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one > (2S,3R,12bS)-2-[(4-chlorobenzyl)-methyl-amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]beta-carbolin-4-one > InChI=1S/C25H28ClN3O2/c1-15(30)23-21(28(2)14-16-7-9-17(26)10-8-16)13-22-24-19(11-12-29(22)25(23)31)18-5-3-4-6-20(18)27-24/h3-10,15,21-23,27,30H,11-14H2,1-2H3/t15-,21-,22-,23-/m0/s1 > PYXDDQSIFBRJLR-OBAATPRFSA-N > 4.1 > 437.1870048 > C25H28ClN3O2 > 438.0 > CC(C1C(CC2C3=C(CCN2C1=O)C4=CC=CC=C4N3)N(C)CC5=CC=C(C=C5)Cl)O > C[C@@H]([C@H]1[C@H](C[C@H]2C3=C(CCN2C1=O)C4=CC=CC=C4N3)N(C)CC5=CC=C(C=C5)Cl)O > 59.6 > 437.1870048 > 0 > 31 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 36 6 11 14 8 14 17 8 17 18 8 17 22 8 18 23 8 22 25 8 23 26 8 24 27 8 24 28 8 25 26 8 27 29 8 28 30 8 29 31 8 16 3 5 30 31 8 8 5 5 6 11 8 6 18 8 7 32 6 $$$$