1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Openeye Name: 2-(4-isopropylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-(4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Traditional Name: 2-(4-isopropylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C22H24F3N3O4 MolecularWeight: 451.43887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H24F3N3O4/c1-15(2)16-3-6-18(7-4-16)32-14-21(29)27-11-9-26(10-12-27)19-8-5-17(22(23,24)25)13-20(19)28(30)31/h3-8,13,15H,9-12,14H2,1-2H3