60184968 -OEChem-03282411042D 66 71 0 1 0 0 0 0 0999 V2000 8.9946 3.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.9518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.1471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4503 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7267 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2267 3.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2883 2.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -2.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4621 1.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 1.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8343 1.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3093 2.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7016 3.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 3.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -1.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -4.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 -2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 23 1 0 0 0 0 2 59 1 0 0 0 0 3 29 1 0 0 0 0 3 34 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 7 32 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 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 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 1 0 0 0 14 41 1 0 0 0 0 15 19 2 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 42 1 0 0 0 0 17 26 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 19 27 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 28 2 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 60184968 > 1 > 748 > 5 > 1 > 6 > AAADcfB7sAAAAAAAAAAAAAAAGABYAWAAAAA8WIAAAAAAAFgB/AAAHgAACAAADyzhngY+xvMMFgCoAzV3VACCiCAxIiAI2CE+bJgOdvLE8ZuUcChmxhnY6AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(4-pyridylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone > 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 2-cyclopropyl-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 2-cyclopropyl-1-[(1S)-7-methoxy-9-methyl-1-methylol-1'-(4-pyridylmethyl)spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-2-yl]ethanone > InChI=1S/C27H32N4O3/c1-29-22-12-20(34-2)5-6-21(22)25-26(29)23(14-32)31(24(33)11-18-3-4-18)17-27(25)15-30(16-27)13-19-7-9-28-10-8-19/h5-10,12,18,23,32H,3-4,11,13-17H2,1-2H3/t23-/m1/s1 > BUWFSNNSDIMSNN-HSZRJFAPSA-N > 1.8 > 460.24744090 > C27H32N4O3 > 460.6 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)CC5=CC=NC=C5)C(=O)CC6CC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)CC5=CC=NC=C5)C(=O)CC6CC6)CO > 70.8 > 460.24744090 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 15 8 14 23 5 15 19 8 15 24 8 19 27 8 24 28 8 26 30 8 26 31 8 27 29 8 28 29 8 30 32 8 31 33 8 6 13 8 6 19 8 7 32 8 7 33 8 $$$$