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

Systemtic Name: methyl 4-[3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propanoylamino]benzoate CAS Name: 4-[[3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoylamino]benzoate Traditional Name: 4-[3-[1-keto-4-(p-tolyl)phthalazin-2-yl]propanoylamino]benzoic acid methyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H23N3O4/c1-17-7-9-18(10-8-17)24-21-5-3-4-6-22(21)25(31)29(28-24)16-15-23(30)27-20-13-11-19(12-14-20)26(32)33-2/h3-14H,15-16H2,1-2H3,(H,27,30)