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

Systemtic Name: ethyl 4-[4-[(2-methylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-methylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(2-methylanilino)-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(o-toluidino)phthalazin-1-yl]benzoic acid ethyl ester Formula: C24H21N3O2 MolecularWeight: 383.44244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2/c1-3-29-24(28)18-14-12-17(13-15-18)22-19-9-5-6-10-20(19)23(27-26-22)25-21-11-7-4-8-16(21)2/h4-15H,3H2,1-2H3,(H,25,27)