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SMILES: n1c(CCCC)[nH]cc1C=O Canonical SMILES: CCCCc1nc(c[nH]1)C=O InChI: InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10) InChIKey: PTHGVOCFAZSNNA-UHFFFAOYSA-N
CBID:82157 http://www.chembase.cn/molecule-82157.html