ethyl 4-[5-[3-(2-chlorophenyl)propanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[3-(2-chlorophenyl)propanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[3-(2-chlorophenyl)propanoylamino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[3-(2-chlorophenyl)-1-oxopropyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[3-(2-chlorophenyl)propanoylamino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[3-(2-chlorophenyl)propanoylamino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C26H28ClN3O4 MolecularWeight: 481.97122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl

InChI

InChI=1S/C26H28ClN3O4/c1-2-34-26(33)29-15-12-19(13-16-29)30-17-14-20-21(25(30)32)7-5-9-23(20)28-24(31)11-10-18-6-3-4-8-22(18)27/h3-9,14,17,19H,2,10-13,15-16H2,1H3,(H,28,31)