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

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

Click to see the large picture

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)N

Isomeric SMILES

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

InChI

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