3-[4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(4-benzylpiperidine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-5-(trifluoromethyl)-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-benzylpiperidine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-benzylpiperidine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C21H20F3N5O2 MolecularWeight: 431.41101

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O2/c22-21(23,24)19-16(13-25-29(19)17-6-7-18(30)27-26-17)20(31)28-10-8-15(9-11-28)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,27,30)