methyl 4-[[6-[(4-methylphenyl)carbamoylamino]-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-[(4-methylphenyl)carbamoylamino]-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-(p-tolylcarbamoylamino)-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[6-[[(4-methylanilino)-oxomethyl]amino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(4-methylphenyl)carbamoylamino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-(p-tolylcarbamoylamino)-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H22N4O4/c1-15-3-9-18(10-4-15)26-25(32)27-19-11-12-20-21(14-19)23(30)29-28-22(20)13-16-5-7-17(8-6-16)24(31)33-2/h3-12,14H,13H2,1-2H3,(H,29,30)(H2,26,27,32)