methyl 4-[4-[[4-(phenylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[[4-(phenylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[4-(phenylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[anilino(oxo)methyl]anilino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(phenylcarbamoyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(phenylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid methyl ester Formula: C29H22N4O3 MolecularWeight: 474.50998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H22N4O3/c1-36-29(35)21-13-11-19(12-14-21)26-24-9-5-6-10-25(24)27(33-32-26)30-23-17-15-20(16-18-23)28(34)31-22-7-3-2-4-8-22/h2-18H,1H3,(H,30,33)(H,31,34)