2-(4-nitroimidazol-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitroimidazol-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-nitroimidazol-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-nitro-1-imidazolyl)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitroimidazol-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-nitroimidazol-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C16H16F3N5O3 MolecularWeight: 383.32515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16F3N5O3/c17-16(18,19)12-2-1-3-13(8-12)22-4-6-23(7-5-22)15(25)10-21-9-14(20-11-21)24(26)27/h1-3,8-9,11H,4-7,10H2