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SMILES: c1c(N2CCCCC2)cn[nH]c1=O Canonical SMILES: O=c1[nH]ncc(c1)N1CCCCC1 InChI: InChI=1S/C9H13N3O/c13-9-6-8(7-10-11-9)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,11,13) InChIKey: VGVCCVAWCOYWTI-UHFFFAOYSA-N
CBID:308396 http://www.chembase.cn/molecule-308396.html