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

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C23H22F3N3O4 MolecularWeight: 461.43369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H22F3N3O4/c1-2-3-8-13-29-21(31)16-10-5-4-9-15(16)20(28-29)22(32)33-14-19(30)27-18-12-7-6-11-17(18)23(24,25)26/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,27,30)