ethyl 4-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C27H31N3O7/c1-5-36-19-9-7-18(8-10-19)30-17-22(20-15-23(34-3)24(35-4)16-21(20)26(30)32)25(31)28-11-13-29(14-12-28)27(33)37-6-2/h7-10,15-17H,5-6,11-14H2,1-4H3