1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[[4-nitro-3-(trifluoromethyl)phenyl]amino]cyclohexyl]propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[[4-nitro-3-(trifluoromethyl)phenyl]amino]cyclohexyl]propan-1-one Openeye Name: 3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]-1-[4-(p-tolyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)-1-piperazinyl]-3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one Traditional Name: 3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]-1-[4-(p-tolyl)piperazino]propan-1-one Formula: C27H33F3N4O3 MolecularWeight: 518.57113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC3CCC(CC3)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC3CCC(CC3)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C27H33F3N4O3/c1-19-2-10-23(11-3-19)32-14-16-33(17-15-32)26(35)13-6-20-4-7-21(8-5-20)31-22-9-12-25(34(36)37)24(18-22)27(28,29)30/h2-3,9-12,18,20-21,31H,4-8,13-17H2,1H3