compound 0284998

Properties Image MNX_ID MNXM1189365 reference envipathM:...e523b6501287 formula C18H17ClFN3O2 global charge 0 mol weight 361.804 InChIKey GPRRJNCKASFKMG-MAGPTUMMSA-N InChI InChI=1S/C18H17ClFN3O2/c1-23-8-13(16(22-23)17(20)24)18(25)21-14-4-2-3-10-9-5-6-11(15(10)14)12(9)7-19/h2-4,7-9,11,17,24H,5-6H2,1H3,(H,21,25)/t9-,11-,17?/m1/s1 SMILES CN1C=C(C(=O)NC2=C3C(=CC=C2)[C@H]2CC[C@@H]3C2=CCl)C(C(O)F)=N1 MNX internals InChI (mnx) InChI=1/C18H17ClFN3O2/c1-23-8-13(16(22-23)17(20)24)18(25)21-14-4-2-3-10-9-5-6-11(15(10)14)12(9)7-19/h2-4,7-9,11,17,24H,5-6H2,1H3,(H,21,25)/b12-7?/t9-,11-,17?/m1/s1 SMILES (mnx) [CH3:1][N:23]1[CH:8]=[C:13]([C:18](=[N:21][C:14]2=[CH:4][CH:2]=[CH:3][C:10]3=[C:15]2[C@@H:11]2[CH2:6][CH2:5][C@H:9]3[C:12]2=[CH:7][Cl:19])[OH:25])[C:16]([CH:17]([F:20])[OH:24])=[N:22]1

Parent-child relations graph

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