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

Systemtic Name: 5-ethanoyl-2-ethyl-6-phenyl-4-[[3-(trifluoromethyloxy)phenyl]amino]pyridazin-3-one Openeye Name: 5-acetyl-2-ethyl-6-phenyl-4-[3-(trifluoromethoxy)anilino]pyridazin-3-one CAS Name: 5-acetyl-2-ethyl-6-phenyl-4-[3-(trifluoromethoxy)anilino]-3-pyridazinone IUPAC Name: 5-acetyl-2-ethyl-6-phenyl-4-[3-(trifluoromethoxy)anilino]pyridazin-3-one Traditional Name: 5-acetyl-2-ethyl-6-phenyl-4-[3-(trifluoromethoxy)anilino]pyridazin-3-one Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC(=CC=C3)OC(F)(F)F

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=CC(=CC=C3)OC(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c1-3-27-20(29)19(25-15-10-7-11-16(12-15)30-21(22,23)24)17(13(2)28)18(26-27)14-8-5-4-6-9-14/h4-12,25H,3H2,1-2H3