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

Systemtic Name: ethyl 4-[5-[(2,3-dimethylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[(2,3-dimethylbenzoyl)amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[(2,3-dimethylphenyl)-oxomethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2,3-dimethylbenzoyl)amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[(2,3-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(=CC=C4)C)C

Isomeric SMILES

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

InChI

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