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

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-methoxy-4-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(2-methoxy-4-nitro-phenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-(2-methoxy-4-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-methoxy-4-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-(2-methoxy-4-nitro-phenoxy)ethanone Formula: C22H26FN3O5 MolecularWeight: 431.457343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O5/c1-15-12-25(16(2)11-24(15)13-17-4-6-18(23)7-5-17)22(27)14-31-20-9-8-19(26(28)29)10-21(20)30-3/h4-10,15-16H,11-14H2,1-3H3