ethyl 1-[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-1-oxoisoquinoline-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-1-keto-isoquinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C24H23ClN2O4 MolecularWeight: 438.90342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN2O4/c1-2-31-24(30)16-6-5-13-26(14-16)22(28)21-15-27(18-11-9-17(25)10-12-18)23(29)20-8-4-3-7-19(20)21/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3