3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-6-(trifluoromethyl)pyridin-2-olate

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-6-(trifluoromethyl)pyridin-2-olate Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-olate CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-6-(trifluoromethyl)-2-pyridinolate IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-olate Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-olate Formula: C18H17F3N3O2- MolecularWeight: 364.34169

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C18H18F3N3O2/c19-18(20,21)15-7-6-14(16(25)22-15)17(26)24-10-8-23(9-11-24)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,22,25)/p-1