5-ethanoyl-2-ethyl-6-phenyl-4-[[2-(trifluoromethyl)phenyl]amino]pyridazin-3-one

Systemtic Name: 5-ethanoyl-2-ethyl-6-phenyl-4-[[2-(trifluoromethyl)phenyl]amino]pyridazin-3-one Openeye Name: 5-acetyl-2-ethyl-6-phenyl-4-[2-(trifluoromethyl)anilino]pyridazin-3-one CAS Name: 5-acetyl-2-ethyl-6-phenyl-4-[2-(trifluoromethyl)anilino]-3-pyridazinone IUPAC Name: 5-acetyl-2-ethyl-6-phenyl-4-[2-(trifluoromethyl)anilino]pyridazin-3-one Traditional Name: 5-acetyl-2-ethyl-6-phenyl-4-[2-(trifluoromethyl)anilino]pyridazin-3-one Formula: C21H18F3N3O2 MolecularWeight: 401.38173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c1-3-27-20(29)19(25-16-12-8-7-11-15(16)21(22,23)24)17(13(2)28)18(26-27)14-9-5-4-6-10-14/h4-12,25H,3H2,1-2H3