60187365 -OEChem-04262422402D 67 71 0 1 0 0 0 0 0999 V2000 8.1286 3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3971 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2626 -1.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 2.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 2.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 2.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3281 2.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2501 0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 -0.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -3.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -2.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2033 1.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8048 1.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3281 -0.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 -0.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5086 -4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 -4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 61 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 20 2 0 0 0 0 4 30 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 24 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 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 1 0 0 0 13 39 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 28 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 29 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 30 2 0 0 0 0 25 53 1 0 0 0 0 26 31 1 0 0 0 0 26 54 1 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 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > 60187365 > 1 > 678 > 5 > 1 > 5 > AAADcfB7OAAAAAAAAAAAAAAAAABYAWAAAAA8SIAAAAAAAFgB8AAAHgAACAAADyzhngYyxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOduLE8ZuWcChmxhnY6Aew0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(tetrahydropyran-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-oxanylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(oxan-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(oxan-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(oxan-4-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-7-methoxy-9-methyl-1-methylol-2-(tetrahydropyran-4-ylmethyl)spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-yl]propan-1-one > InChI=1S/C25H35N3O4/c1-4-22(30)28-15-25(16-28)14-27(12-17-7-9-32-10-8-17)21(13-29)24-23(25)19-6-5-18(31-3)11-20(19)26(24)2/h5-6,11,17,21,29H,4,7-10,12-16H2,1-3H3/t21-/m1/s1 > CGHYDWXRZBVQRQ-OAQYLSRUSA-N > 1.4 > 441.26275661 > C25H35N3O4 > 441.6 > CCC(=O)N1CC2(C1)CN(C(C3=C2C4=C(N3C)C=C(C=C4)OC)CO)CC5CCOCC5 > CCC(=O)N1CC2(C1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)CC5CCOCC5 > 67.2 > 441.26275661 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 15 8 13 19 5 15 17 8 15 23 8 17 25 8 23 29 8 25 30 8 29 30 8 7 14 8 7 17 8 $$$$