2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butyl-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butyl-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]ethanone Formula: C25H32FN3O4 MolecularWeight: 457.537683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)C(C)(C)C)[N+](=O)[O-])C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)C(C)(C)C)[N+](=O)[O-])C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H32FN3O4/c1-17-14-28(18(2)13-27(17)15-19-6-9-21(26)10-7-19)24(30)16-33-23-11-8-20(25(3,4)5)12-22(23)29(31)32/h6-12,17-18H,13-16H2,1-5H3