60186811 -OEChem-04242411022D 63 67 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 6.3966 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.1471 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 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 6.3966 0.6471 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 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 7.2626 -2.2671 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 8.1286 -2.7671 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 8.9946 2.1471 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 -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 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 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 9.8606 1.6471 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 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 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 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 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 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 9.5506 1.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 1.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 2.1840 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 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 17 2 0 0 0 0 2 20 1 0 0 0 0 2 60 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 21 2 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 2 0 0 0 0 12 16 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 15 20 1 1 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 18 26 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 30 1 0 0 0 0 22 27 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 28 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 29 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 31 2 0 0 0 0 26 51 1 0 0 0 0 27 31 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > 60186811 > 1 > 735 > 5 > 1 > 3 > AAADceB7OAAAAAAAAAAAAAAAAABYAWAAAAA8SIAAAAAAAFgB8AAAHgAACAAADyzhngYyxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLE8ZuWcChmxhnY6Aey0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(tetrahydropyran-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[4-oxanyl(oxo)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(oxane-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(oxane-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(oxan-4-ylcarbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]ethanone > 1-[(1S)-7-methoxy-9-methyl-1-methylol-1'-(tetrahydropyran-4-carbonyl)spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-2-yl]ethanone > InChI=1S/C24H31N3O5/c1-15(29)27-14-24(12-26(13-24)23(30)16-6-8-32-9-7-16)21-18-5-4-17(31-3)10-19(18)25(2)22(21)20(27)11-28/h4-5,10,16,20,28H,6-9,11-14H2,1-3H3/t20-/m1/s1 > HFIVPWBHXHXJFO-HXUWFJFHSA-N > 0.1 > 441.22637110 > C24H31N3O5 > 441.5 > CC(=O)N1CC2(CN(C2)C(=O)C3CCOCC3)C4=C(C1CO)N(C5=C4C=CC(=C5)OC)C > CC(=O)N1CC2(CN(C2)C(=O)C3CCOCC3)C4=C([C@H]1CO)N(C5=C4C=CC(=C5)OC)C > 84.2 > 441.22637110 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 16 8 15 20 5 16 18 8 16 22 8 18 26 8 22 27 8 26 31 8 27 31 8 8 14 8 8 18 8 $$$$