ethyl 4-[(1-oxidanylidene-4-pyridin-4-ylcarbonyl-2H-isoquinolin-3-yl)amino]benzoate

Systemtic Name: ethyl 4-[(1-oxidanylidene-4-pyridin-4-ylcarbonyl-2H-isoquinolin-3-yl)amino]benzoate Openeye Name: ethyl 4-[[1-oxo-4-(pyridine-4-carbonyl)-2H-isoquinolin-3-yl]amino]benzoate CAS Name: 4-[[1-oxo-4-[oxo(pyridin-4-yl)methyl]-2H-isoquinolin-3-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-oxo-4-(pyridine-4-carbonyl)-2H-isoquinolin-3-yl]amino]benzoate Traditional Name: 4-[(4-isonicotinoyl-1-keto-2H-isoquinolin-3-yl)amino]benzoic acid ethyl ester Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C24H19N3O4/c1-2-31-24(30)16-7-9-17(10-8-16)26-22-20(21(28)15-11-13-25-14-12-15)18-5-3-4-6-19(18)23(29)27-22/h3-14H,2H2,1H3,(H2,26,27,29)