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SMILES: n1cc(ccc1)CNC(=O)CC#N Canonical SMILES: N#CCC(=O)NCc1cccnc1 InChI: InChI=1S/C9H9N3O/c10-4-3-9(13)12-7-8-2-1-5-11-6-8/h1-2,5-6H,3,7H2,(H,12,13) InChIKey: SYFMQBDZEJECPU-UHFFFAOYSA-N
CBID:36799 http://www.chembase.cn/molecule-36799.html