7-[4-(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 7-[4-(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Openeye Name: 7-[4-hydroxy-4-(hydroxymethyl)-1-piperidyl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-[4-hydroxy-4-(hydroxymethyl)-1-piperidinyl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(4-hydroxy-4-methylol-piperidino)-3-[2-(trifluoromethyl)phenyl]isocarbostyril Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CO)O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1(CO)O)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

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