N-(4-fluoranyl-3-nitro-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O4/c1-2-3-4-7-12-25-21(28)16-9-6-5-8-15(16)19(24-25)20(27)23-14-10-11-17(22)18(13-14)26(29)30/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,23,27)