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The molecular formula of the compound is C16H18BrN3.
The molecular weight of the compound is 332.24 g/mol.
The IUPAC name of the compound is 1-benzyl-4-(5-bromopyridin-3-yl)piperazine.
The InChI of the compound is InChI=1S/C16H18BrN3/c17-15-10-16(12-18-11-15)20-8-6-19(7-9-20)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2.
The InChIKey of the compound is LJULJEIXEDMQCI-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1CN(CCN1CC2=CC=CC=C2)C3=CC(=CN=C3)Br.
The CAS number of the compound is 954388-11-5.
The DSSTox Substance ID of the compound is DTXSID10704507.
The XLogP3-AA value of the compound is 3.
Yes, the compound is canonicalized.
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