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SMILES: N#Cc1c(N2CCOCC2)ncc(B2OC(C)(C)C(C)(C)O2)c1 Canonical SMILES: N#Cc1cc(cnc1N1CCOCC1)B1OC(C(O1)(C)C)(C)C InChI: InChI=1S/C16H22BN3O3/c1-15(2)16(3,4)23-17(22-15)13-9-12(10-18)14(19-11-13)20-5-7-21-8-6-20/h9,11H,5-8H2,1-4H3 InChIKey: KMOMTJKORSQJNI-UHFFFAOYSA-N
CBID:292100 http://www.chembase.cn/molecule-292100.html