[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C24H24F3N3O4 MolecularWeight: 475.46027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C24H24F3N3O4/c1-2-3-4-9-14-30-22(32)17-11-6-5-10-16(17)21(29-30)23(33)34-15-20(31)28-19-13-8-7-12-18(19)24(25,26)27/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,28,31)