1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[[4-nitro-3-(trifluoromethyl)phenyl]amino]cyclohexyl]oxy-ethanone

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[[4-nitro-3-(trifluoromethyl)phenyl]amino]cyclohexyl]oxy-ethanone Openeye Name: 1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexoxy]ethanone CAS Name: 1-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone Traditional Name: 1-[4-(3,4-dimethoxyphenyl)piperazino]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexoxy]ethanone Formula: C27H33F3N4O6 MolecularWeight: 566.56933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CCN(CC2)C(=O)COC3CCC(CC3)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CCN(CC2)C(=O)COC3CCC(CC3)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C27H33F3N4O6/c1-38-24-10-6-20(16-25(24)39-2)32-11-13-33(14-12-32)26(35)17-40-21-7-3-18(4-8-21)31-19-5-9-23(34(36)37)22(15-19)27(28,29)30/h5-6,9-10,15-16,18,21,31H,3-4,7-8,11-14,17H2,1-2H3