ethyl 4-[5-[(2-chlorophenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(2-chlorophenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(2-chlorobenzoyl)amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[(2-chlorophenyl)-oxomethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2-chlorobenzoyl)amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[(2-chlorobenzoyl)amino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C24H24ClN3O4 MolecularWeight: 453.91806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H24ClN3O4/c1-2-32-24(31)27-13-10-16(11-14-27)28-15-12-17-18(23(28)30)7-5-9-21(17)26-22(29)19-6-3-4-8-20(19)25/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H,26,29)