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SMILES: c1(cnc2c(c1)cc([nH]2)CC)Br Canonical SMILES: CCc1cc2c([nH]1)ncc(c2)Br InChI: InChI=1S/C9H9BrN2/c1-2-8-4-6-3-7(10)5-11-9(6)12-8/h3-5H,2H2,1H3,(H,11,12) InChIKey: LEBUTEDILHIQJK-UHFFFAOYSA-N
CBID:51660 http://www.chembase.cn/molecule-51660.html