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SMILES: CC(C)NCC(c1ccc(c(c1)C#N)N)O Canonical SMILES: N#Cc1cc(ccc1N)C(CNC(C)C)O InChI: InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3 InChIKey: BUXRLJCGHZZYNE-UHFFFAOYSA-N
CBID:157454 http://www.chembase.cn/molecule-157454.html