2-(4-cyclohexylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-cyclohexylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-cyclohexylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-cyclohexylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-cyclohexylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-cyclohexylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C25H28F3N3O4 MolecularWeight: 491.50273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C25H28F3N3O4/c26-25(27,28)20-8-11-22(23(16-20)31(33)34)29-12-14-30(15-13-29)24(32)17-35-21-9-6-19(7-10-21)18-4-2-1-3-5-18/h6-11,16,18H,1-5,12-15,17H2