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

Systemtic Name: 7-[3-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyloxy)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[3-(hydroxymethyl)-1-piperidyl]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[3-(hydroxymethyl)-1-piperidinyl]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[3-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(3-methylolpiperidino)-3-[2-(trifluoromethoxy)phenyl]isocarbostyril Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F)CO

Isomeric SMILES

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4OC(F)(F)F)CO

InChI

InChI=1S/C22H21F3N2O3/c23-22(24,25)30-20-6-2-1-5-17(20)19-10-15-7-8-16(11-18(15)21(29)26-19)27-9-3-4-14(12-27)13-28/h1-2,5-8,10-11,14,28H,3-4,9,12-13H2,(H,26,29)