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SMILES: c1(n[nH]c2ccc(cc12)Br)N1CCNCC1 Canonical SMILES: Brc1ccc2c(c1)c(n[nH]2)N1CCNCC1 InChI: InChI=1S/C11H13BrN4/c12-8-1-2-10-9(7-8)11(15-14-10)16-5-3-13-4-6-16/h1-2,7,13H,3-6H2,(H,14,15) InChIKey: XGGXRDOMYCKGKD-UHFFFAOYSA-N
CBID:802191 http://www.chembase.cn/molecule-802191.html