1-[[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-6-methyl-phenyl]methyl]piperazine

Systemtic Name: 1-[[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-6-methyl-phenyl]methyl]piperazine Openeye Name: 1-[[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-6-methyl-phenyl]methyl]piperazine CAS Name: 1-[[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-6-methylphenyl]methyl]piperazine IUPAC Name: 1-[[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-6-methylphenyl]methyl]piperazine Traditional Name: 1-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-6-methyl-benzyl]piperazine Formula: C21H27BrN2O MolecularWeight: 403.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CCC2=C(C=CC(=C2)Br)OC)CN3CCNCC3

Isomeric SMILES

CC1=C(C(=CC=C1)CCC2=C(C=CC(=C2)Br)OC)CN3CCNCC3

InChI

InChI=1S/C21H27BrN2O/c1-16-4-3-5-17(20(16)15-24-12-10-23-11-13-24)6-7-18-14-19(22)8-9-21(18)25-2/h3-5,8-9,14,23H,6-7,10-13,15H2,1-2H3