3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate

Systemtic Name: 3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Openeye Name: 3-(4-benzoylpiperazine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate CAS Name: 3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-1-[2-(trifluoromethyl)phenyl]-4-pyrazololate IUPAC Name: 3-(4-benzoylpiperazine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Traditional Name: 3-(4-benzoylpiperazine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Formula: C22H18F3N4O3- MolecularWeight: 443.39853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN(C=C3[O-])C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN(C=C3[O-])C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H19F3N4O3/c23-22(24,25)16-8-4-5-9-17(16)29-14-18(30)19(26-29)21(32)28-12-10-27(11-13-28)20(31)15-6-2-1-3-7-15/h1-9,14,30H,10-13H2/p-1