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

Systemtic Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[[4-nitro-3-(trifluoromethyl)phenyl]amino]cyclohexyl]propan-1-one Openeye Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one CAS Name: 1-[4-(4-tert-butylphenyl)-1-piperazinyl]-3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]-1-propanone IUPAC Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one Traditional Name: 1-[4-(4-tert-butylphenyl)piperazino]-3-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one Formula: C30H39F3N4O3 MolecularWeight: 560.65087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C30H39F3N4O3/c1-29(2,3)22-7-12-25(13-8-22)35-16-18-36(19-17-35)28(38)15-6-21-4-9-23(10-5-21)34-24-11-14-27(37(39)40)26(20-24)30(31,32)33/h7-8,11-14,20-21,23,34H,4-6,9-10,15-19H2,1-3H3