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

Systemtic Name: methyl 4-[[4-(4-aminocarbonylphenyl)phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-(4-carbamoylphenyl)phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-(4-carbamoylphenyl)-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-carbamoylphenyl)phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-(4-carbamoylphenyl)phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H18N4O3/c1-30-23(29)16-10-12-17(13-11-16)25-22-19-5-3-2-4-18(19)20(26-27-22)14-6-8-15(9-7-14)21(24)28/h2-13H,1H3,(H2,24,28)(H,25,27)