ethyl 4-[5-[(3-methylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(3-methylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(3-methylbenzoyl)amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[(3-methylphenyl)-oxomethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(3-methylbenzoyl)amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-5-(m-toluoylamino)-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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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=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4/c1-3-32-25(31)27-13-10-19(11-14-27)28-15-12-20-21(24(28)30)8-5-9-22(20)26-23(29)18-7-4-6-17(2)16-18/h4-9,12,15-16,19H,3,10-11,13-14H2,1-2H3,(H,26,29)