4-[1-(phenylcarbonyl)piperidin-4-yl]-7-(trifluoromethyl)-2H-isoquinolin-1-one

Systemtic Name: 4-[1-(phenylcarbonyl)piperidin-4-yl]-7-(trifluoromethyl)-2H-isoquinolin-1-one Openeye Name: 4-(1-benzoyl-4-piperidyl)-7-(trifluoromethyl)-2H-isoquinolin-1-one CAS Name: 4-(1-benzoyl-4-piperidinyl)-7-(trifluoromethyl)-2H-isoquinolin-1-one IUPAC Name: 4-(1-benzoylpiperidin-4-yl)-7-(trifluoromethyl)-2H-isoquinolin-1-one Traditional Name: 4-(1-benzoyl-4-piperidyl)-7-(trifluoromethyl)isocarbostyril Formula: C22H19F3N2O2 MolecularWeight: 400.39367

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC(=O)C3=C2C=CC(=C3)C(F)(F)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CNC(=O)C3=C2C=CC(=C3)C(F)(F)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19F3N2O2/c23-22(24,25)16-6-7-17-18(12-16)20(28)26-13-19(17)14-8-10-27(11-9-14)21(29)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2,(H,26,28)