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

Systemtic Name: methyl 4-[4-[(4-chlorophenyl)amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-(4-chloroanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(4-chloroanilino)-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chloroanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(4-chloroanilino)phthalazin-1-yl]benzoic acid methyl ester Formula: C22H16ClN3O2 MolecularWeight: 389.83434

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O2/c1-28-22(27)15-8-6-14(7-9-15)20-18-4-2-3-5-19(18)21(26-25-20)24-17-12-10-16(23)11-13-17/h2-13H,1H3,(H,24,26)