3-[4-[2-(hydroxymethyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[2-(hydroxymethyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-[2-(hydroxymethyl)-1-piperidyl]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-[2-(hydroxymethyl)-1-piperidinyl]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[2-(hydroxymethyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2-methylolpiperidino)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C17H18F3N3O2 MolecularWeight: 353.33893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)CO)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2/c18-17(19,20)13-9-11(14-5-7-16(25)22-21-14)4-6-15(13)23-8-2-1-3-12(23)10-24/h4-7,9,12,24H,1-3,8,10H2,(H,22,25)