(1S)-2-(cyclopropylmethyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

Properties Image MNX_ID MNXM169849 reference chebi:129792 formula C28H33FN4O3 global charge 0 mol weight 492.595 InChIKey QYNZWUQEWSOVAR-XMMPIXPASA-N InChI InChI=1S/C28H33FN4O3/c1-36-21-7-8-22-23(14-21)31-26-24(16-34)33(15-18-5-6-18)17-28(25(22)26)9-11-32(12-10-28)27(35)30-20-4-2-3-19(29)13-20/h2-4,7-8,13-14,18,24,31,34H,5-6,9-12,15-17H2,1H3,(H,30,35)/t24-/m1/s1 SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@@H](CO)N(CC2CC2)CC12CCN(C(=O)NC1=CC(F)=CC=C1)CC2 MNX internals InChI (mnx) InChI=1/C28H33FN4O3/c1-36-21-7-8-22-23(14-21)31-26-24(16-34)33(15-18-5-6-18)17-28(25(22)26)9-11-32(12-10-28)27(35)30-20-4-2-3-19(29)13-20/h2-4,7-8,13-14,18,24,31,34H,5-6,9-12,15-17H2,1H3,(H,30,35)/t24-/m1/s1 SMILES (mnx) [CH3:1][O:36][C:21]1=[CH:14][C:23]2=[C:22]([CH:8]=[CH:7]1)[C:25]1=[C:26]([C@@H:24]([CH2:16][OH:34])[N:33]([CH2:15][CH:18]3[CH2:5][CH2:6]3)[CH2:17][C:28]13[CH2:9][CH2:11][N:32]([C:27](=[N:30][C:20]1=[CH:4][CH:2]=[CH:3][C:19]([F:29])=[CH:13]1)[OH:35])[CH2:12][CH2:10]3)[NH:31]2

Parent-child relations graph

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