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

Systemtic Name: ethyl 4-[[1-oxidanylidene-4-(phenylcarbonyl)-2H-isoquinolin-3-yl]amino]benzoate Openeye Name: ethyl 4-[(4-benzoyl-1-oxo-2H-isoquinolin-3-yl)amino]benzoate CAS Name: 4-[(4-benzoyl-1-oxo-2H-isoquinolin-3-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzoyl-1-oxo-2H-isoquinolin-3-yl)amino]benzoate Traditional Name: 4-[(4-benzoyl-1-keto-2H-isoquinolin-3-yl)amino]benzoic acid ethyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4/c1-2-31-25(30)17-12-14-18(15-13-17)26-23-21(22(28)16-8-4-3-5-9-16)19-10-6-7-11-20(19)24(29)27-23/h3-15H,2H2,1H3,(H2,26,27,29)