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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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