(1R,2aS,8bS)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-[oxo(pyridin-4-yl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

Properties Image MNX_ID MNXM169725 reference chebi:127210 formula C24H21ClN4O3 global charge 0 mol weight 448.91 InChIKey CCCMDIPFDONFPS-FSSWDIPSSA-N InChI InChI=1S/C24H21ClN4O3/c25-16-4-3-5-17(12-16)27-24(32)28-13-20-22(18-6-1-2-7-19(18)28)21(14-30)29(20)23(31)15-8-10-26-11-9-15/h1-12,20-22,30H,13-14H2,(H,27,32)/t20-,21+,22+/m1/s1 SMILES O=C(NC1=CC(Cl)=CC=C1)N1C[C@@H]2[C@H](C3=CC=CC=C31)[C@H](CO)N2C(=O)C1=CC=NC=C1 MNX internals InChI (mnx) InChI=1/C24H21ClN4O3/c25-16-4-3-5-17(12-16)27-24(32)28-13-20-22(18-6-1-2-7-19(18)28)21(14-30)29(20)23(31)15-8-10-26-11-9-15/h1-12,20-22,30H,13-14H2,(H,27,32)/t20-,21+,22+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:7]=[C:19]2[C:18](=[CH:6]1)[C@H:22]1[C@@H:20]([CH2:13][N:28]2[C:24](=[N:27][C:17]2=[CH:5][CH:3]=[CH:4][C:16]([Cl:25])=[CH:12]2)[OH:32])[N:29]([C:23]([C:15]2=[CH:9][CH:11]=[N:26][CH:10]=[CH:8]2)=[O:31])[C@H:21]1[CH2:14][OH:30]

Parent-child relations graph

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