N'-[3,5-bis(fluoranyl)phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[3,5-bis(fluoranyl)phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(3,5-difluorobenzoyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[(3,5-difluorophenyl)-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(3,5-difluorobenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-(3,5-difluorobenzoyl)-4-keto-phthalazine-1-carbohydrazide Formula: C21H20F2N4O3 MolecularWeight: 414.405306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C21H20F2N4O3/c1-2-3-6-9-27-21(30)17-8-5-4-7-16(17)18(26-27)20(29)25-24-19(28)13-10-14(22)12-15(23)11-13/h4-5,7-8,10-12H,2-3,6,9H2,1H3,(H,24,28)(H,25,29)