(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

Properties Image MNX_ID MNXM169966 reference chebi:127761 formula C24H21FN4O3 global charge 0 mol weight 432.455 InChIKey ZPDCCBMYJGFFFY-VSKRKVRLSA-N InChI InChI=1S/C24H21FN4O3/c25-16-8-2-3-9-17(16)27-24(32)29-20-13-28(23(31)18-10-5-6-12-26-18)19-11-4-1-7-15(19)22(20)21(29)14-30/h1-12,20-22,30H,13-14H2,(H,27,32)/t20-,21-,22+/m1/s1 SMILES O=C(C1=CC=CC=N1)N1C[C@@H]2[C@H](C3=CC=CC=C31)[C@@H](CO)N2C(=O)NC1=CC=CC=C1F MNX internals InChI (mnx) InChI=1/C24H21FN4O3/c25-16-8-2-3-9-17(16)27-24(32)29-20-13-28(23(31)18-10-5-6-12-26-18)19-11-4-1-7-15(19)22(20)21(29)14-30/h1-12,20-22,30H,13-14H2,(H,27,32)/t20-,21-,22+/m1/s1 SMILES (mnx) [CH:1]1=[CH:4][CH:11]=[C:19]2[C:15](=[CH:7]1)[C@H:22]1[C@@H:20]([CH2:13][N:28]2[C:23]([C:18]2=[CH:10][CH:5]=[CH:6][CH:12]=[N:26]2)=[O:31])[N:29]([C:24](=[N:27][C:17]2=[CH:9][CH:3]=[CH:2][CH:8]=[C:16]2[F:25])[OH:32])[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