1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-(2-nitrophenoxy)ethanone Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4/c1-15-12-24(16(2)11-23(15)13-17-7-9-18(22)10-8-17)21(26)14-29-20-6-4-3-5-19(20)25(27)28/h3-10,15-16H,11-14H2,1-2H3