3-[(2-methoxyphenyl)amino]-6-[4-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 3-[(2-methoxyphenyl)amino]-6-[4-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 3-(2-methoxyanilino)-6-[4-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 3-(2-methoxyanilino)-6-[4-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 3-(2-methoxyanilino)-6-[4-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 3-(o-anisidino)-6-[4-(trifluoromethoxy)phenyl]isocarbostyril Formula: C23H17F3N2O3 MolecularWeight: 426.38789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)N2

Isomeric SMILES

COC1=CC=CC=C1NC2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)N2

InChI

InChI=1S/C23H17F3N2O3/c1-30-20-5-3-2-4-19(20)27-21-13-16-12-15(8-11-18(16)22(29)28-21)14-6-9-17(10-7-14)31-23(24,25)26/h2-13H,1H3,(H2,27,28,29)