7-(2-oxidanylidenepyridin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-(2-oxidanylidenepyridin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(2-oxo-1-pyridyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(2-oxo-1-pyridinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(2-oxopyridin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(2-keto-1-pyridyl)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C21H13F3N2O2 MolecularWeight: 382.33533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)N4C=CC=CC4=O)C(=O)N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)N4C=CC=CC4=O)C(=O)N2)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O2/c22-21(23,24)17-6-2-1-5-15(17)18-11-13-8-9-14(12-16(13)20(28)25-18)26-10-4-3-7-19(26)27/h1-12H,(H,25,28)