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

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[1-pyrimidin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-pyrimidin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[1-(2-pyrimidinyl)-5-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-pyrimidin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(2-pyrimidyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C20H19F3N6O MolecularWeight: 416.39967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N6O/c21-20(22,23)17-16(13-26-29(17)19-24-7-4-8-25-19)18(30)28-11-9-27(10-12-28)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2