3-hexyl-4-oxidanylidene-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-4-oxidanylidene-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C22H22F3N3O2 MolecularWeight: 417.42419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N3O2/c1-2-3-4-7-13-28-21(30)18-12-6-5-11-17(18)19(27-28)20(29)26-16-10-8-9-15(14-16)22(23,24)25/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,26,29)