2-(5-ethanoyl-2-methoxy-phenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(5-ethanoyl-2-methoxy-phenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C22H22F3N3O5 MolecularWeight: 465.42239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H22F3N3O5/c1-14(29)15-3-6-20(33-2)16(11-15)12-21(30)27-9-7-26(8-10-27)18-5-4-17(22(23,24)25)13-19(18)28(31)32/h3-6,11,13H,7-10,12H2,1-2H3