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

Systemtic Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-methyl-1-phenyl-4-pyrazolyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-methyl-1-phenylpyrazol-4-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C22H20F3N5O3 MolecularWeight: 459.42111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)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=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H20F3N5O3/c1-15-18(14-26-29(15)17-5-3-2-4-6-17)21(31)28-11-9-27(10-12-28)19-8-7-16(22(23,24)25)13-20(19)30(32)33/h2-8,13-14H,9-12H2,1H3