ethyl 4-[5-[2-(4-chloranyl-3-methyl-phenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[2-(4-chloranyl-3-methyl-phenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-(4-chloro-3-methyl-phenyl)acetyl]amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-(4-chloro-3-methylphenyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-(4-chloro-3-methylphenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[[2-(4-chloro-3-methyl-phenyl)acetyl]amino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C26H28ClN3O4 MolecularWeight: 481.97122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O4/c1-3-34-26(33)29-12-9-19(10-13-29)30-14-11-20-21(25(30)32)5-4-6-23(20)28-24(31)16-18-7-8-22(27)17(2)15-18/h4-8,11,14-15,19H,3,9-10,12-13,16H2,1-2H3,(H,28,31)