(1-ethyl-4-nitro-pyrazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (1-ethyl-4-nitro-pyrazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (1-ethyl-4-nitro-pyrazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (1-ethyl-4-nitro-3-pyrazolyl)-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (1-ethyl-4-nitropyrazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (1-ethyl-4-nitro-pyrazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C17H18F3N5O3 MolecularWeight: 397.35173

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N5O3/c1-2-24-11-14(25(27)28)15(21-24)16(26)23-8-6-22(7-9-23)13-5-3-4-12(10-13)17(18,19)20/h3-5,10-11H,2,6-9H2,1H3