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SMILES: COc1ccnc(c1C#N)n1cccc1C=O Canonical SMILES: N#Cc1c(OC)ccnc1n1cccc1C=O InChI: InChI=1S/C12H9N3O2/c1-17-11-4-5-14-12(10(11)7-13)15-6-2-3-9(15)8-16/h2-6,8H,1H3 InChIKey: IKVREFKXPJNUEL-UHFFFAOYSA-N
CBID:297499 http://www.chembase.cn/molecule-297499.html