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

Systemtic Name: ethyl 4-[5-[2-(3-chloranyl-5-methyl-phenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-(3-chloro-5-methyl-phenyl)acetyl]amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-(3-chloro-5-methylphenyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-(3-chloro-5-methylphenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[[2-(3-chloro-5-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(=CC(=C4)C)Cl

Isomeric SMILES

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

InChI

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