1-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-(4-iodanyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-(4-iodanyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-(4-iodo-2-nitro-phenoxy)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-(4-iodo-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-(4-iodo-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-fluorobenzyl)-2-methyl-piperazino]-2-(4-iodo-2-nitro-phenoxy)ethanone Formula: C20H21FIN3O4 MolecularWeight: 513.301313

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)I)[N+](=O)[O-])CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)I)[N+](=O)[O-])CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FIN3O4/c1-14-11-23(12-15-2-4-16(21)5-3-15)8-9-24(14)20(26)13-29-19-7-6-17(22)10-18(19)25(27)28/h2-7,10,14H,8-9,11-13H2,1H3