(4,5-dimethoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C20H20F3N3O5 MolecularWeight: 439.38511

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20F3N3O5/c1-30-17-11-15(16(26(28)29)12-18(17)31-2)19(27)25-8-6-24(7-9-25)14-5-3-4-13(10-14)20(21,22)23/h3-5,10-12H,6-9H2,1-2H3