[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C22H22N2O4/c1-13(2)24-21(26)17-8-6-5-7-16(17)20(23-24)22(27)28-12-19(25)18-11-14(3)9-10-15(18)4/h5-11,13H,12H2,1-4H3