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9F9

概要
表記:N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide
組成式:C22 H26 N4 O3
電荷:0
化学式量:394.467 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide
OpenEye OEToolkits1.7.6N-(1,3-dimethyl-2-oxidanylidene-6-piperidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(c1ccccc1OC)Nc2cc4c(cc2N3CCCCC3)N(C(=O)N4C)C
InChIInChI1.03InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
InChIKeyInChI1.03LTUGYAOMCKNTGG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCCC4
SMILESCACTVS3.385COc1ccccc1C(=O)Nc2cc3N(C)C(=O)N(C)c3cc2N4CCCCC4
SMILES_CANONICALOpenEye OEToolkits1.7.6CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC
SMILESOpenEye OEToolkits1.7.6CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC

225158

件を2024-09-18に公開中

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