[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C26H23N3O4/c1-16-13-14-22(17(2)15-16)27-24(30)18(3)33-26(32)23-20-11-7-8-12-21(20)25(31)29(28-23)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,27,30)