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

Systemtic Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazino]isocarbostyril Formula: C20H18F3N3O MolecularWeight: 373.37163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H18F3N3O/c21-20(22,23)15-5-3-6-16(13-15)25-8-10-26(11-9-25)18-12-14-4-1-2-7-17(14)19(27)24-18/h1-7,12-13H,8-11H2,(H,24,27)