3-hexyl-4-oxidanylidene-N-[2,3,4-tris(fluoranyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-4-oxidanylidene-N-[2,3,4-tris(fluoranyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-(2,3,4-trifluorophenyl)-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C21H20F3N3O2/c1-2-3-4-7-12-27-21(29)14-9-6-5-8-13(14)19(26-27)20(28)25-16-11-10-15(22)17(23)18(16)24/h5-6,8-11H,2-4,7,12H2,1H3,(H,25,28)