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SMILES: c1(c(cc(cn1)C#N)C)Br Canonical SMILES: N#Cc1cnc(c(c1)C)Br InChI: InChI=1S/C7H5BrN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3 InChIKey: JECOSEMUVCECAL-UHFFFAOYSA-N
CBID:67211 http://www.chembase.cn/molecule-67211.html