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

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-1-[4-(4-fluorobenzyl)-2-methyl-piperazino]ethanone Formula: C20H21ClFN3O4 MolecularWeight: 421.849843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3O4/c1-14-11-23(12-15-2-5-17(22)6-3-15)8-9-24(14)20(26)13-29-19-7-4-16(21)10-18(19)25(27)28/h2-7,10,14H,8-9,11-13H2,1H3