3-[3-oxidanylidene-3-[3-[4-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]propyl]-1H-pyridazin-6-one

Systemtic Name: 3-[3-oxidanylidene-3-[3-[4-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]propyl]-1H-pyridazin-6-one Openeye Name: 3-[3-oxo-3-[3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]propyl]-1H-pyridazin-6-one CAS Name: 3-[3-oxo-3-[3-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]propyl]-1H-pyridazin-6-one IUPAC Name: 3-[3-oxo-3-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propyl]-1H-pyridazin-6-one Traditional Name: 3-[3-keto-3-[3-[4-(trifluoromethyl)benzoyl]piperidino]propyl]-1H-pyridazin-6-one Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=NNC(=O)C=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2=NNC(=O)C=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O3/c21-20(22,23)15-5-3-13(4-6-15)19(29)14-2-1-11-26(12-14)18(28)10-8-16-7-9-17(27)25-24-16/h3-7,9,14H,1-2,8,10-12H2,(H,25,27)