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

Systemtic Name: methyl 4-[2-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-oxo-4-(p-tolyl)phthalazin-2-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-keto-4-(p-tolyl)phthalazin-2-yl]acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c1-16-7-9-17(10-8-16)23-20-5-3-4-6-21(20)24(30)28(27-23)15-22(29)26-19-13-11-18(12-14-19)25(31)32-2/h3-14H,15H2,1-2H3,(H,26,29)