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

Systemtic Name: (4-ethanoylphenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (4-acetylphenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (4-acetylphenyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H22N2O4/c1-3-4-7-14-24-21(26)19-9-6-5-8-18(19)20(23-24)22(27)28-17-12-10-16(11-13-17)15(2)25/h5-6,8-13H,3-4,7,14H2,1-2H3