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

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C22H19F3N2O4 MolecularWeight: 432.39247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H19F3N2O4/c1-2-3-11-27-20(29)17-10-5-4-9-16(17)19(26-27)21(30)31-13-18(28)14-7-6-8-15(12-14)22(23,24)25/h4-10,12H,2-3,11,13H2,1H3