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

Systemtic Name: [1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(2-pyridylcarbamoyl)propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-(2-pyridinylamino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-2-ylamino)butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-(2-pyridylcarbamoyl)propyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O4/c1-4-21(25(31)29-22-11-7-8-16-28-22)34-27(33)24-23(18-14-12-17(2)13-15-18)19-9-5-6-10-20(19)26(32)30(24)3/h5-16,21H,4H2,1-3H3,(H,28,29,31)