3-[4-(4-oxidanylidenepiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-oxidanylidenepiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(4-oxo-1-piperidyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-(4-oxo-1-piperidinyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-oxopiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-ketopiperidino)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C16H14F3N3O2 MolecularWeight: 337.29647

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1=O)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O2/c17-16(18,19)12-9-10(13-2-4-15(24)21-20-13)1-3-14(12)22-7-5-11(23)6-8-22/h1-4,9H,5-8H2,(H,21,24)