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SMILES: c1(ncc(c(c1)C)Br)Nc1ccc(cc1)OC Canonical SMILES: COc1ccc(cc1)Nc1ncc(c(c1)C)Br InChI: InChI=1S/C13H13BrN2O/c1-9-7-13(15-8-12(9)14)16-10-3-5-11(17-2)6-4-10/h3-8H,1-2H3,(H,15,16) InChIKey: KUKYNDAPPRUMKI-UHFFFAOYSA-N
CBID:50022 http://www.chembase.cn/molecule-50022.html