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

Systemtic Name: ethyl 4-[5-[(2,4-dimethylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(2,4-dimethylbenzoyl)amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[(2,4-dimethylphenyl)-oxomethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2,4-dimethylbenzoyl)amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[(2,4-dimethylbenzoyl)amino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-4-33-26(32)28-13-10-19(11-14-28)29-15-12-21-22(25(29)31)6-5-7-23(21)27-24(30)20-9-8-17(2)16-18(20)3/h5-9,12,15-16,19H,4,10-11,13-14H2,1-3H3,(H,27,30)