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

Systemtic Name: 3-[4-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-[2-(1-piperidyl)ethyl]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-[2-(1-piperidinyl)ethyl]-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2-piperidinoethyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C18H20F3N3O MolecularWeight: 351.36611

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)CCC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O/c19-18(20,21)15-12-14(16-6-7-17(25)23-22-16)5-4-13(15)8-11-24-9-2-1-3-10-24/h4-7,12H,1-3,8-11H2,(H,23,25)