methyl 1-[1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]piperidine-4-carboxylate Traditional Name: 1-[1-keto-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]isonipecotic acid methyl ester Formula: C23H21F3N2O3 MolecularWeight: 430.41965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H21F3N2O3/c1-31-22(30)14-8-10-28(11-9-14)16-7-6-15-12-20(27-21(29)18(15)13-16)17-4-2-3-5-19(17)23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H,27,29)