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

Systemtic Name: ethyl 4-[4-[[4-[(2-methylphenyl)carbamoyl]phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[4-(o-tolylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[(2-methylanilino)-oxomethyl]anilino]-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-[(2-methylphenyl)carbamoyl]anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(o-tolylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid ethyl ester Formula: C31H26N4O3 MolecularWeight: 502.56314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5C

InChI

InChI=1S/C31H26N4O3/c1-3-38-31(37)23-14-12-21(13-15-23)28-25-9-5-6-10-26(25)29(35-34-28)32-24-18-16-22(17-19-24)30(36)33-27-11-7-4-8-20(27)2/h4-19H,3H2,1-2H3,(H,32,35)(H,33,36)