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

Systemtic Name: propyl 4-[4-[(4-methylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-(4-methylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(4-methylanilino)-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-(4-methylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(p-toluidino)phthalazin-1-yl]benzoic acid propyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2/c1-3-16-30-25(29)19-12-10-18(11-13-19)23-21-6-4-5-7-22(21)24(28-27-23)26-20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,26,28)