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SMILES: O=C(N1CCN(c2cc3c(cc2)c(I)n[nH]3)CC1)OC(C)(C)C Canonical SMILES: O=C(N1CCN(CC1)c1ccc2c(c1)[nH]nc2I)OC(C)(C)C InChI: InChI=1S/C16H21IN4O2/c1-16(2,3)23-15(22)21-8-6-20(7-9-21)11-4-5-12-13(10-11)18-19-14(12)17/h4-5,10H,6-9H2,1-3H3,(H,18,19) InChIKey: PPEIKYPYQKCFHI-UHFFFAOYSA-N
CBID:288160 http://www.chembase.cn/molecule-288160.html