N-(1-cyanocyclohexyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]acetamide Formula: C20H24F3N5O3 MolecularWeight: 439.43147

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H24F3N5O3/c21-20(22,23)15-4-5-16(17(12-15)28(30)31)27-10-8-26(9-11-27)13-18(29)25-19(14-24)6-2-1-3-7-19/h4-5,12H,1-3,6-11,13H2,(H,25,29)