1-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone

Properties Image MNX_ID MNXM338896 reference chebi:125745 formula C28H34F2N4O3 global charge 0 mol weight 512.601 InChIKey GQQZXCYXCIWXIH-XMMPIXPASA-N InChI InChI=1S/C28H34F2N4O3/c1-32(2)15-25(36)33-10-8-28(9-11-33)17-34(14-18-12-19(29)4-7-22(18)30)24(16-35)27-26(28)21-6-5-20(37-3)13-23(21)31-27/h4-7,12-13,24,31,35H,8-11,14-17H2,1-3H3/t24-/m1/s1 SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@@H](CO)N(CC2=C(F)C=CC(F)=C2)CC12CCN(C(=O)CN(C)C)CC2 MNX internals InChI (mnx) InChI=1/C28H34F2N4O3/c1-32(2)15-25(36)33-10-8-28(9-11-33)17-34(14-18-12-19(29)4-7-22(18)30)24(16-35)27-26(28)21-6-5-20(37-3)13-23(21)31-27/h4-7,12-13,24,31,35H,8-11,14-17H2,1-3H3/t24-/m1/s1 SMILES (mnx) [CH3:1][N:32]([CH3:2])[CH2:15][C:25]([N:33]1[CH2:10][CH2:8][C:28]2([CH2:9][CH2:11]1)[CH2:17][N:34]([CH2:14][C:18]1=[C:22]([F:30])[CH:7]=[CH:4][C:19]([F:29])=[CH:12]1)[C@H:24]([CH2:16][OH:35])[C:27]1=[C:26]2[C:21]2=[C:23]([CH:13]=[C:20]([O:37][CH3:3])[CH:5]=[CH:6]2)[NH:31]1)=[O:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0