(2-butan-2-ylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H20N2O3/c1-4-13(2)14-9-7-8-12-17(14)25-20(24)18-15-10-5-6-11-16(15)19(23)22(3)21-18/h5-13H,4H2,1-3H3