60194027 -OEChem-04242400392D 66 71 0 1 0 0 0 0 0999 V2000 6.3966 -3.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3801 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4503 1.6848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.3801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4503 0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -2.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3534 -3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 -2.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7886 -4.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 -4.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 -2.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 -2.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5138 -4.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -3.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 2.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 2.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 0.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 1.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 22 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 16 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 21 1 0 0 0 0 6 13 1 0 0 0 0 6 18 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 22 1 1 0 0 0 14 41 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 18 26 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 49 1 0 0 0 0 23 50 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 29 2 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 27 31 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 > 60194027 > 1 > 748 > 5 > 1 > 5 > AAADcfB7sAAAAAAAAAAAAAAAAAB4gWAAAAA8WIAAAAAAAFgB/AAAHgAACAAADyzhngY+xvMMFgCoAzV3VACCiCAxIiAI2CE+bJgOdvLE8ZuUcChmxhnY6AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-pyridylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclobutyl-[(1S)-7-methoxy-9-methyl-1-methylol-2-(4-pyridylmethyl)spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-yl]methanone > InChI=1S/C27H32N4O3/c1-29-22-12-20(34-2)6-7-21(22)24-25(29)23(14-32)30(13-18-8-10-28-11-9-18)15-27(24)16-31(17-27)26(33)19-4-3-5-19/h6-12,19,23,32H,3-5,13-17H2,1-2H3/t23-/m1/s1 > IHEKSZMIXTUSNE-HSZRJFAPSA-N > 1.7 > 460.24744090 > C27H32N4O3 > 460.6 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)C5CCC5)CC6=CC=NC=C6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)C5CCC5)CC6=CC=NC=C6)CO > 70.8 > 460.24744090 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 15 8 14 22 5 15 18 8 15 24 8 18 26 8 24 28 8 26 29 8 27 30 8 27 31 8 28 29 8 30 32 8 31 33 8 6 13 8 6 18 8 7 32 8 7 33 8 $$$$