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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O4/c1-3-33-25(32)28-12-9-18(10-13-28)29-14-11-19-20(24(29)31)5-4-6-22(19)27-23(30)17-7-8-21(26)16(2)15-17/h4-8,11,14-15,18H,3,9-10,12-13H2,1-2H3,(H,27,30)