6-[4-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 6-[4-(hydroxymethyl)-1-piperidyl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 6-[4-(hydroxymethyl)-1-piperidinyl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 6-[4-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 6-(4-methylolpiperidino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C2=CC3=C(C=C2)C(=O)NC(=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1CO)C2=CC3=C(C=C2)C(=O)NC(=C3)C4=CC=CC=C4C(F)(F)F

InChI

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