(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-methyl-1-pyridin-2-yl-pyrazol-4-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: [5-methyl-1-(2-pyridyl)pyrazol-4-yl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [5-methyl-1-(2-pyridinyl)-4-pyrazolyl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-methyl-1-pyridin-2-ylpyrazol-4-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [5-methyl-1-(2-pyridyl)pyrazol-4-yl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H19F3N6O3 MolecularWeight: 460.40917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N6O3/c1-14-16(13-26-29(14)19-4-2-3-7-25-19)20(31)28-10-8-27(9-11-28)17-6-5-15(21(22,23)24)12-18(17)30(32)33/h2-7,12-13H,8-11H2,1H3