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

Systemtic Name: methyl 4-[4-[[4-(diethylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[diethylamino(oxo)methyl]anilino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid methyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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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)OC

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)OC

InChI

InChI=1S/C27H26N4O3/c1-4-31(5-2)26(32)19-14-16-21(17-15-19)28-25-23-9-7-6-8-22(23)24(29-30-25)18-10-12-20(13-11-18)27(33)34-3/h6-17H,4-5H2,1-3H3,(H,28,30)