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SMILES: c1(c2c([nH]c1)ccc(c2)Br)C1=CCNCC1 Canonical SMILES: Brc1ccc2c(c1)c(c[nH]2)C1=CCNCC1 InChI: InChI=1S/C13H13BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2 InChIKey: FCKKUEPMSPRIAO-UHFFFAOYSA-N
CBID:40943 http://www.chembase.cn/molecule-40943.html