(2-methyl-5-propan-2-yl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-methyl-5-propan-2-yl-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-isopropyl-2-methyl-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-5-propan-2-ylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (5-isopropyl-2-methyl-phenyl) ester Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-12(2)14-10-9-13(3)17(11-14)25-20(24)18-15-7-5-6-8-16(15)19(23)22(4)21-18/h5-12H,1-4H3