4-oxidanylidene-3-pentyl-N-[4-(trifluoromethyloxy)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[4-(trifluoromethyloxy)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[4-(trifluoromethoxy)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H20F3N3O3/c1-2-3-6-13-27-20(29)17-8-5-4-7-16(17)18(26-27)19(28)25-14-9-11-15(12-10-14)30-21(22,23)24/h4-5,7-12H,2-3,6,13H2,1H3,(H,25,28)