1-[[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-phenyl]methyl]-4-methyl-piperazine

Systemtic Name: 1-[[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-phenyl]methyl]-4-methyl-piperazine Openeye Name: 1-[[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-phenyl]methyl]-4-methyl-piperazine CAS Name: 1-[[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]methyl]-4-methylpiperazine IUPAC Name: 1-[[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]methyl]-4-methylpiperazine Traditional Name: 1-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-benzyl]-4-methyl-piperazine Formula: C21H26BrFN2O MolecularWeight: 421.346343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C(=CC=C2)F)CCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN1CCN(CC1)CC2=C(C(=CC=C2)F)CCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H26BrFN2O/c1-24-10-12-25(13-11-24)15-17-4-3-5-20(23)19(17)8-6-16-14-18(22)7-9-21(16)26-2/h3-5,7,9,14H,6,8,10-13,15H2,1-2H3