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SMILES: n1c(c2cc(ccc2)Br)oc(n1)CCCC Canonical SMILES: CCCCc1nnc(o1)c1cccc(c1)Br InChI: InChI=1S/C12H13BrN2O/c1-2-3-7-11-14-15-12(16-11)9-5-4-6-10(13)8-9/h4-6,8H,2-3,7H2,1H3 InChIKey: CHTQDKHZZYNJKP-UHFFFAOYSA-N
CBID:90104 http://www.chembase.cn/molecule-90104.html