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

Systemtic Name: propyl 4-[4-[[4-(phenylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-[4-(phenylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[anilino(oxo)methyl]anilino]-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-[4-(phenylcarbamoyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(phenylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid propyl ester Formula: C31H26N4O3 MolecularWeight: 502.56314

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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=C5

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=C5

InChI

InChI=1S/C31H26N4O3/c1-2-20-38-31(37)23-14-12-21(13-15-23)28-26-10-6-7-11-27(26)29(35-34-28)32-25-18-16-22(17-19-25)30(36)33-24-8-4-3-5-9-24/h3-19H,2,20H2,1H3,(H,32,35)(H,33,36)