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

Systemtic Name: propyl 4-[4-[(2-methylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-(2-methylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(2-methylanilino)-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-(2-methylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(o-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=CC=C4C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C

InChI

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