[4-(phenylmethyl)piperazin-1-yl]-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(2-pyridyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[1-(2-pyridinyl)-5-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(2-pyridyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C21H20F3N5O MolecularWeight: 415.41161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O/c22-21(23,24)19-17(14-26-29(19)18-8-4-5-9-25-18)20(30)28-12-10-27(11-13-28)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2