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

Systemtic Name: ethyl 4-[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H27N3O4/c1-4-32-25(31)27-13-11-26(12-14-27)23(29)22-16-28(19-10-9-17(2)18(3)15-19)24(30)21-8-6-5-7-20(21)22/h5-10,15-16H,4,11-14H2,1-3H3