60185045 -OEChem-05032421262D 72 77 0 1 0 0 0 0 0999 V2000 6.3966 -2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 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 3 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 11.5927 0.6471 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 2 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 7.2626 -2.2671 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 4.8667 1.1471 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 7.2626 3.1471 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 8.9946 -2.2671 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 8.9946 -4.2671 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 3.8353 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.7671 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 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 10.7267 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 0.1471 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 7.5917 -3.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 -3.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 -4.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -1.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 -1.7922 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 8.5961 -4.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -4.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 -2.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0727 -2.1845 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 10.0727 -4.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 -3.6594 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 8.1286 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 0.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 1.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.4729 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 16 2 0 0 0 0 2 20 1 0 0 0 0 2 65 1 0 0 0 0 3 31 1 0 0 0 0 3 36 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 19 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 7 34 2 0 0 0 0 7 35 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 37 1 0 0 0 0 9 38 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 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 20 1 6 0 0 0 14 43 1 0 0 0 0 15 18 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 18 27 1 0 0 0 0 19 29 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 30 2 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 31 2 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 M END > 60185045 > 1 > 777 > 5 > 1 > 5 > AAADcfB7sAAAAAAAAAAAAAAAAABYAWAAAAA8eIEAAAAAAFgB/AAAHgAACAAADyzhngY+xvMMFgCoAzV3VACCiCAxIiAI2CE+bJgOdvLE8ZuUcChmxhnY6AeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-pyridylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-7-methoxy-9-methyl-1-methylol-2-(4-pyridylmethyl)spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-yl]methanone > InChI=1S/C29H36N4O3/c1-31-24-14-22(36-2)8-9-23(24)26-27(31)25(16-34)32(15-20-10-12-30-13-11-20)17-29(26)18-33(19-29)28(35)21-6-4-3-5-7-21/h8-14,21,25,34H,3-7,15-19H2,1-2H3/t25-/m0/s1 > WMEDZRPLZKJLHD-VWLOTQADSA-N > 2.8 > 488.27874102 > C29H36N4O3 > 488.6 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)C5CCCCC5)CC6=CC=NC=C6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CN(C4)C(=O)C5CCCCC5)CC6=CC=NC=C6)CO > 70.8 > 488.27874102 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 15 8 14 20 6 15 18 8 15 23 8 18 27 8 23 30 8 27 31 8 29 32 8 29 33 8 30 31 8 32 34 8 33 35 8 6 13 8 6 18 8 7 34 8 7 35 8 $$$$