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

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-yl-pyrazol-4-yl)methanone Openeye Name: [5-isopropyl-1-(2-pyridyl)pyrazol-4-yl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-[5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone Traditional Name: [5-isopropyl-1-(2-pyridyl)pyrazol-4-yl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C23H23F3N6O3 MolecularWeight: 488.46233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C23H23F3N6O3/c1-15(2)21-17(14-28-31(21)20-5-3-4-8-27-20)22(33)30-11-9-29(10-12-30)18-7-6-16(23(24,25)26)13-19(18)32(34)35/h3-8,13-15H,9-12H2,1-2H3