2-methyl-2-[4-[[4-nitro-3-(trifluoromethyl)phenyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-methyl-2-[4-[[4-nitro-3-(trifluoromethyl)phenyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-methyl-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexoxy]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-methyl-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-methyl-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-methyl-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexoxy]-1-(4-phenylpiperazino)propan-1-one Formula: C27H33F3N4O4 MolecularWeight: 534.57053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3CCC(CC3)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3CCC(CC3)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C27H33F3N4O4/c1-26(2,25(35)33-16-14-32(15-17-33)21-6-4-3-5-7-21)38-22-11-8-19(9-12-22)31-20-10-13-24(34(36)37)23(18-20)27(28,29)30/h3-7,10,13,18-19,22,31H,8-9,11-12,14-17H2,1-2H3