3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-(trifluoromethyl)phenyl]isocarbostyril Formula: C16H10F3NO MolecularWeight: 289.25191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H10F3NO/c17-16(18,19)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(21)20-14/h1-9H,(H,20,21)