ethyl 4-[1,3-bis(oxidanylidene)-4-(phenylcarbamoyl)-4H-isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-4-(phenylcarbamoyl)-4H-isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[1,3-dioxo-4-(phenylcarbamoyl)-4H-isoquinolin-2-yl]benzoate CAS Name: 4-[4-[anilino(oxo)methyl]-1,3-dioxo-4H-isoquinolin-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dioxo-4-(phenylcarbamoyl)-4H-isoquinolin-2-yl]benzoate Traditional Name: 4-[1,3-diketo-4-(phenylcarbamoyl)-4H-isoquinolin-2-yl]benzoic acid ethyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O5/c1-2-32-25(31)16-12-14-18(15-13-16)27-23(29)20-11-7-6-10-19(20)21(24(27)30)22(28)26-17-8-4-3-5-9-17/h3-15,21H,2H2,1H3,(H,26,28)