1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(3-iodanylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(3-iodanylphenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-(3-iodophenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-(3-iodophenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(3-iodophenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-(3-iodophenoxy)ethanone Formula: C21H24FIN2O2 MolecularWeight: 482.330333

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=CC(=CC=C2)I)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=CC(=CC=C2)I)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FIN2O2/c1-15-12-25(21(26)14-27-20-5-3-4-19(23)10-20)16(2)11-24(15)13-17-6-8-18(22)9-7-17/h3-10,15-16H,11-14H2,1-2H3