methyl 4-[4-[(2-methylphenyl)amino]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[(2-methylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-(2-methylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(2-methylanilino)-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-methylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(o-toluidino)phthalazin-1-yl]benzoic acid methyl ester Formula: C23H19N3O2 MolecularWeight: 369.41586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H19N3O2/c1-15-7-3-6-10-20(15)24-22-19-9-5-4-8-18(19)21(25-26-22)16-11-13-17(14-12-16)23(27)28-2/h3-14H,1-2H3,(H,24,26)