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SMILES: CCN(CCC#N)c1ccc(c(c1)C)C=O Canonical SMILES: N#CCCN(c1ccc(c(c1)C)C=O)CC InChI: InChI=1S/C13H16N2O/c1-3-15(8-4-7-14)13-6-5-12(10-16)11(2)9-13/h5-6,9-10H,3-4,8H2,1-2H3 InChIKey: VTXVKMVZEXXUIC-UHFFFAOYSA-N
CBID:147557 http://www.chembase.cn/molecule-147557.html