4-piperidin-4-yl-7-(trifluoromethyl)-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 4-piperidin-4-yl-7-(trifluoromethyl)-2H-isoquinolin-1-one hydrochloride Openeye Name: 4-(4-piperidyl)-7-(trifluoromethyl)-2H-isoquinolin-1-one hydrochloride CAS Name: 4-(4-piperidinyl)-7-(trifluoromethyl)-2H-isoquinolin-1-one hydrochloride IUPAC Name: 4-piperidin-4-yl-7-(trifluoromethyl)-2H-isoquinolin-1-one hydrochloride Traditional Name: 4-(4-piperidyl)-7-(trifluoromethyl)isocarbostyril hydrochloride Formula: C15H16ClF3N2O MolecularWeight: 332.74855

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CNC(=O)C3=C2C=CC(=C3)C(F)(F)F.Cl

Isomeric SMILES

C1CNCCC1C2=CNC(=O)C3=C2C=CC(=C3)C(F)(F)F.Cl

InChI

InChI=1S/C15H15F3N2O.ClH/c16-15(17,18)10-1-2-11-12(7-10)14(21)20-8-13(11)9-3-5-19-6-4-9;/h1-2,7-9,19H,3-6H2,(H,20,21);1H