1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Formula: C25H24FN3O5 MolecularWeight: 465.473563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O5/c1-33-22-9-2-18(3-10-22)23-16-21(29(31)32)8-11-24(23)34-17-25(30)28-14-12-27(13-15-28)20-6-4-19(26)5-7-20/h2-11,16H,12-15,17H2,1H3