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SMILES: C12(c3c([nH]cn3)CCN1CC(C)C)CCN(c1nc(C(=O)O)ccc1)CC2 Canonical SMILES: CC(CN1CCc2c(C31CCN(CC3)c1cccc(n1)C(=O)O)nc[nH]2)C InChI: InChI=1S/C20H27N5O2/c1-14(2)12-25-9-6-15-18(22-13-21-15)20(25)7-10-24(11-8-20)17-5-3-4-16(23-17)19(26)27/h3-5,13-14H,6-12H2,1-2H3,(H,21,22)(H,26,27) InChIKey: UPSXABIBIDXZGI-UHFFFAOYSA-N
CBID:340683 http://www.chembase.cn/molecule-340683.html