ethyl 4-[4-[[4-(diethylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[[4-(diethylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[diethylamino(oxo)methyl]anilino]-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid ethyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C28H28N4O3/c1-4-32(5-2)27(33)20-15-17-22(18-16-20)29-26-24-10-8-7-9-23(24)25(30-31-26)19-11-13-21(14-12-19)28(34)35-6-3/h7-18H,4-6H2,1-3H3,(H,29,31)