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

Systemtic Name: ethyl 4-[5-[2-(2,5-dimethylphenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-(2,5-dimethylphenyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[[2-(2,5-dimethylphenyl)acetyl]amino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H31N3O4/c1-4-34-27(33)29-13-10-21(11-14-29)30-15-12-22-23(26(30)32)6-5-7-24(22)28-25(31)17-20-16-18(2)8-9-19(20)3/h5-9,12,15-16,21H,4,10-11,13-14,17H2,1-3H3,(H,28,31)