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SMILES: c1(cnc(cc1)N1CCNCC1)I Canonical SMILES: Ic1ccc(nc1)N1CCNCC1 InChI: InChI=1S/C9H12IN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2 InChIKey: MKKJIJFTSAYHBW-UHFFFAOYSA-N
CBID:23697 http://www.chembase.cn/molecule-23697.html