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SMILES: c12c(C3(CC(=O)N1)CCCCC3)c([nH]n2)C Canonical SMILES: O=C1Nc2n[nH]c(c2C2(C1)CCCCC2)C InChI: InChI=1S/C12H17N3O/c1-8-10-11(15-14-8)13-9(16)7-12(10)5-3-2-4-6-12/h2-7H2,1H3,(H2,13,14,15,16) InChIKey: LECZXRXHELRVBO-UHFFFAOYSA-N
CBID:113016 http://www.chembase.cn/molecule-113016.html