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

Properties Image MNX_ID MNXM169626 reference chebi:128989 formula C25H28F2N4O3 global charge 0 mol weight 470.52 InChIKey PMKCOENNFNFKHO-FQEVSTJZSA-N InChI InChI=1S/C25H28F2N4O3/c1-30-21-12-16(34-2)4-5-17(21)22-23(30)20(13-32)28-14-25(22)7-9-31(10-8-25)24(33)29-19-6-3-15(26)11-18(19)27/h3-6,11-12,20,28,32H,7-10,13-14H2,1-2H3,(H,29,33)/t20-/m0/s1 SMILES COC1=CC2=C(C=C1)C1=C([C@H](CO)NCC13CCN(C(=O)NC1=C(F)C=C(F)C=C1)CC3)N2C MNX internals InChI (mnx) InChI=1/C25H28F2N4O3/c1-30-21-12-16(34-2)4-5-17(21)22-23(30)20(13-32)28-14-25(22)7-9-31(10-8-25)24(33)29-19-6-3-15(26)11-18(19)27/h3-6,11-12,20,28,32H,7-10,13-14H2,1-2H3,(H,29,33)/t20-/m0/s1 SMILES (mnx) [CH3:1][N:30]1[C:21]2=[C:17]([CH:5]=[CH:4][C:16]([O:34][CH3:2])=[CH:12]2)[C:22]2=[C:23]1[C@H:20]([CH2:13][OH:32])[NH:28][CH2:14][C:25]21[CH2:7][CH2:9][N:31]([C:24](=[N:29][C:19]2=[C:18]([F:27])[CH:11]=[C:15]([F:26])[CH:3]=[CH:6]2)[OH:33])[CH2:10][CH2:8]1

Parent-child relations graph

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