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

Systemtic Name: 7-[2-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[2-(hydroxymethyl)-1-piperidyl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[2-(hydroxymethyl)-1-piperidinyl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[2-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(2-methylolpiperidino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)CO)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H21F3N2O2/c23-22(24,25)19-7-2-1-6-17(19)20-11-14-8-9-15(12-18(14)21(29)26-20)27-10-4-3-5-16(27)13-28/h1-2,6-9,11-12,16,28H,3-5,10,13H2,(H,26,29)