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

Systemtic Name: 4-oxidanylidene-3-propyl-N-[2-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-[oxo-(2,2,2-trifluoroethylamino)methyl]phenyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]phthalazine-1-carboxamide Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NCC(F)(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NCC(F)(F)F

InChI

InChI=1S/C21H19F3N4O3/c1-2-11-28-20(31)14-8-4-3-7-13(14)17(27-28)19(30)26-16-10-6-5-9-15(16)18(29)25-12-21(22,23)24/h3-10H,2,11-12H2,1H3,(H,25,29)(H,26,30)