(4-tert-butylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-tert-butylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-tert-butylphenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-tert-butylphenyl) ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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