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

Systemtic Name: 3-[4-(3-oxidanylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(3-hydroxy-1-piperidyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-(3-hydroxy-1-piperidinyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(3-hydroxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(3-hydroxypiperidino)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C16H16F3N3O2 MolecularWeight: 339.31235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3O2/c17-16(18,19)12-8-10(13-4-6-15(24)21-20-13)3-5-14(12)22-7-1-2-11(23)9-22/h3-6,8,11,23H,1-2,7,9H2,(H,21,24)