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

Systemtic Name: ethyl 4-[4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzoate CAS Name: 4-[4-(2,4-dimethylanilino)-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzoate Traditional Name: 4-[4-(2,4-dimethylanilino)phthalazin-1-yl]benzoic acid ethyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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=C(C=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2/c1-4-30-25(29)19-12-10-18(11-13-19)23-20-7-5-6-8-21(20)24(28-27-23)26-22-14-9-16(2)15-17(22)3/h5-15H,4H2,1-3H3,(H,26,28)