60193585 -OEChem-04242413592D 68 72 0 1 0 0 0 0 0999 V2000 6.3966 3.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.4159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.4983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.8031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.9983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.9983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4503 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -3.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0422 -2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 -3.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -2.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -2.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 -3.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1683 -4.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5437 -2.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7322 -1.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0197 -4.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7777 -4.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2129 -3.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1261 -2.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 2.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4621 1.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 1.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2827 0.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 1.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 2.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3467 2.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1067 2.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 59 1 0 0 0 0 2 24 2 0 0 0 0 3 29 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 47 1 0 0 0 0 7 27 1 0 0 0 0 7 30 1 0 0 0 0 7 31 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 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 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 23 1 6 0 0 0 16 42 1 0 0 0 0 17 20 2 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 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 56 1 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 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 M END > 60193585 > 1 > 676 > 5 > 2 > 6 > AAADcfB7sAAAAAAAAAAAAAAAAABYAeIAAAA8QAAAAAAAAFgB8AAAHgAQCAAADyzhngYyxvPJlgCoAyVyVACCiCAhIiAImSC+bJgOduLE8buUcChm1hnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1R)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]-2-(dimethylamino)ethanone > 1-[(1R)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone > 1-[(1R)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]-2-(dimethylamino)ethanone > 1-[(1R)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]-2-(dimethylamino)ethanone > 1-[(1R)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]-2-(dimethylamino)ethanone > 1-[(1R)-1'-(cyclopentylmethyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-yl]-2-(dimethylamino)ethanone > InChI=1S/C25H36N4O3/c1-27(2)12-22(31)29-16-25(14-28(15-25)11-17-6-4-5-7-17)23-19-9-8-18(32-3)10-20(19)26-24(23)21(29)13-30/h8-10,17,21,26,30H,4-7,11-16H2,1-3H3/t21-/m0/s1 > APSMZKJGTNQCRH-NRFANRHFSA-N > 2.2 > 440.27874102 > C25H36N4O3 > 440.6 > CN(C)CC(=O)N1CC2(CN(C2)CC3CCCC3)C4=C(C1CO)NC5=C4C=CC(=C5)OC > CN(C)CC(=O)N1CC2(CN(C2)CC3CCCC3)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC > 72 > 440.27874102 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 15 8 12 17 8 16 23 6 17 20 8 17 25 8 20 26 8 25 28 8 26 29 8 28 29 8 6 15 8 6 20 8 $$$$