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

Systemtic Name: propyl 4-[4-[[4-[(2-methylphenyl)carbamoyl]phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-[4-(o-tolylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[(2-methylanilino)-oxomethyl]anilino]-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-[4-[(2-methylphenyl)carbamoyl]anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(o-tolylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid propyl ester Formula: C32H28N4O3 MolecularWeight: 516.58972

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C32H28N4O3/c1-3-20-39-32(38)24-14-12-22(13-15-24)29-26-9-5-6-10-27(26)30(36-35-29)33-25-18-16-23(17-19-25)31(37)34-28-11-7-4-8-21(28)2/h4-19H,3,20H2,1-2H3,(H,33,36)(H,34,37)