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SMILES: N1(C(C#N)c2ccc(cc2)Br)CCNCC1 Canonical SMILES: N#CC(c1ccc(cc1)Br)N1CCNCC1 InChI: InChI=1S/C12H14BrN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2 InChIKey: XVWJNCXBTLEMBD-UHFFFAOYSA-N
CBID:270231 http://www.chembase.cn/molecule-270231.html