[1-oxidanylidene-1-(pyridin-3-ylamino)butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-3-ylamino)butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(3-pyridylcarbamoyl)propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-(3-pyridinylamino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-3-ylamino)butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-(3-pyridylcarbamoyl)propyl ester Formula: C26H22ClN3O4 MolecularWeight: 475.92358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN=CC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)NC1=CN=CC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O4/c1-3-21(24(31)29-18-7-6-14-28-15-18)34-26(33)23-22(16-10-12-17(27)13-11-16)19-8-4-5-9-20(19)25(32)30(23)2/h4-15,21H,3H2,1-2H3,(H,29,31)