7-(4-oxidanylidenepiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-(4-oxidanylidenepiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(4-oxo-1-piperidyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(4-oxo-1-piperidinyl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(4-oxopiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(4-ketopiperidino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C21H17F3N2O2 MolecularWeight: 386.36709

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1=O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H17F3N2O2/c22-21(23,24)18-4-2-1-3-16(18)19-11-13-5-6-14(12-17(13)20(28)25-19)26-9-7-15(27)8-10-26/h1-6,11-12H,7-10H2,(H,25,28)