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

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-methyl-5-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-methyl-5-nitro-phenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-(2-methyl-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-methyl-5-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-(2-methyl-5-nitro-phenoxy)ethanone Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O4/c1-15-4-9-20(26(28)29)10-21(15)30-14-22(27)25-12-16(2)24(11-17(25)3)13-18-5-7-19(23)8-6-18/h4-10,16-17H,11-14H2,1-3H3