(3-chloranyl-4-fluoranyl-phenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-chloranyl-4-fluoranyl-phenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-chloro-4-fluoro-phenyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (3-chloro-4-fluorophenyl) ester IUPAC Name: (3-chloro-4-fluorophenyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (3-chloro-4-fluoro-phenyl) ester Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN2O3/c1-2-3-4-7-12-25-20(26)16-9-6-5-8-15(16)19(24-25)21(27)28-14-10-11-18(23)17(22)13-14/h5-6,8-11,13H,2-4,7,12H2,1H3