[1-[(6-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[(6-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(6-methyl-2-pyridyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[(6-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-methylpyridin-2-yl)amino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(6-methyl-2-pyridyl)carbamoyl]propyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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