(4-ethanoylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H20N2O4/c1-3-4-13-23-20(25)18-8-6-5-7-17(18)19(22-23)21(26)27-16-11-9-15(10-12-16)14(2)24/h5-12H,3-4,13H2,1-2H3