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SMILES: C(=O)(c1[nH]ccc1)N1CCNCC1 Canonical SMILES: O=C(c1ccc[nH]1)N1CCNCC1 InChI: InChI=1S/C9H13N3O/c13-9(8-2-1-3-11-8)12-6-4-10-5-7-12/h1-3,10-11H,4-7H2 InChIKey: TXQFEINGSSZCCL-UHFFFAOYSA-N
CBID:123458 http://www.chembase.cn/molecule-123458.html