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

Systemtic Name: ethyl 4-[5-[2-(2-chlorophenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-(2-chlorophenyl)acetyl]amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-(2-chlorophenyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-(2-chlorophenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[[2-(2-chlorophenyl)acetyl]amino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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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=C4Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H26ClN3O4/c1-2-33-25(32)28-13-10-18(11-14-28)29-15-12-19-20(24(29)31)7-5-9-22(19)27-23(30)16-17-6-3-4-8-21(17)26/h3-9,12,15,18H,2,10-11,13-14,16H2,1H3,(H,27,30)