methyl 4-[3-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(1-oxo-4-phenyl-phthalazin-2-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(1-oxo-4-phenyl-2-phthalazinyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-oxo-4-phenylphthalazin-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-keto-4-phenyl-phthalazin-2-yl)propanoylamino]benzoic acid methyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4/c1-32-25(31)18-11-13-19(14-12-18)26-22(29)15-16-28-24(30)21-10-6-5-9-20(21)23(27-28)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,26,29)