[4-(2-fluorophenyl)piperazin-1-yl]-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone

Systemtic Name: [4-(2-fluorophenyl)piperazin-1-yl]-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone Openeye Name: [4-(2-fluorophenyl)piperazin-1-yl]-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone CAS Name: [4-(2-fluorophenyl)-1-piperazinyl]-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone IUPAC Name: [4-(2-fluorophenyl)piperazin-1-yl]-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone Traditional Name: [4-(2-fluorophenyl)piperazino]-[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone Formula: C25H21F4N3O5 MolecularWeight: 519.444953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C25H21F4N3O5/c1-36-23-14-16(24(33)31-12-10-30(11-13-31)19-5-3-2-4-18(19)26)6-8-22(23)37-21-9-7-17(25(27,28)29)15-20(21)32(34)35/h2-9,14-15H,10-13H2,1H3