(4-ethanoylphenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-ethanoylphenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-acetylphenyl) 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (4-acetylphenyl) ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H20N2O4/c1-13(2)12-23-20(25)18-7-5-4-6-17(18)19(22-23)21(26)27-16-10-8-15(9-11-16)14(3)24/h4-11,13H,12H2,1-3H3