7-piperidin-1-yl-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-piperidin-1-yl-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-(1-piperidyl)-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(1-piperidinyl)-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-piperidin-1-yl-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-piperidino-3-[2-(trifluoromethoxy)phenyl]isocarbostyril Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C21H19F3N2O2/c22-21(23,24)28-19-7-3-2-6-16(19)18-12-14-8-9-15(13-17(14)20(27)25-18)26-10-4-1-5-11-26/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,25,27)