methyl 4-[4-[[4-[(2-methylphenyl)carbamoyl]phenyl]amino]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[[4-[(2-methylphenyl)carbamoyl]phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[4-(o-tolylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[(2-methylanilino)-oxomethyl]anilino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-[(2-methylphenyl)carbamoyl]anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(o-tolylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid methyl ester Formula: C30H24N4O3 MolecularWeight: 488.53656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C30H24N4O3/c1-19-7-3-6-10-26(19)32-29(35)21-15-17-23(18-16-21)31-28-25-9-5-4-8-24(25)27(33-34-28)20-11-13-22(14-12-20)30(36)37-2/h3-18H,1-2H3,(H,31,34)(H,32,35)