1-[4-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazino]ethanone Formula: C17H16F3N5O4 MolecularWeight: 411.33525

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H16F3N5O4/c1-11(26)22-6-8-23(9-7-22)16(27)14-10-21-24(15(14)17(18,19)20)12-2-4-13(5-3-12)25(28)29/h2-5,10H,6-9H2,1H3