2-(4-bromanylphenoxy)-2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 2-(4-bromophenoxy)-2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 2-(4-bromophenoxy)-2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-bromophenoxy)-2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 2-(4-bromophenoxy)-2-methyl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propan-1-one Formula: C21H21BrF3N3O4 MolecularWeight: 516.30835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrF3N3O4/c1-20(2,32-16-6-4-15(22)5-7-16)19(29)27-11-9-26(10-12-27)17-8-3-14(21(23,24)25)13-18(17)28(30)31/h3-8,13H,9-12H2,1-2H3