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ZKZ

概要
表記:N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide
組成式:C18 H21 N3 O4
電荷:0
化学式量:343.377 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-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-methyl-4-[5-(phenoxymethyl)furan-2-yl]carbonyl-piperazine-1-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1
InChIInChI1.06InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23)
InChIKeyInChI1.06QBRVSAXGTOEUNH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc2
SMILESCACTVS3.385CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc3ccccc3
SMILESOpenEye OEToolkits2.0.7CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc3ccccc3

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件を2024-07-10に公開中

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