[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: [4-[4-(trifluoromethoxy)benzyl]piperazino]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C22H24F3N3O7 MolecularWeight: 499.43707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H24F3N3O7/c1-32-17-12-16(18(28(30)31)20(34-3)19(17)33-2)21(29)27-10-8-26(9-11-27)13-14-4-6-15(7-5-14)35-22(23,24)25/h4-7,12H,8-11,13H2,1-3H3