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QJF

概要
表記:(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H17 Cl N2 O3
電荷:0
化学式量:368.814 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OpenEye OEToolkits2.0.7(4~{R})-6-chloranyl-~{N}-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2~{H}-chromene-4-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
SMILESACDLabs12.01COc1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChIInChI1.06InChI=1S/C20H17ClN2O3/c1-25-14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-26-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyInChI1.06FBODVAAXKKPILK-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc34)c2c1
SMILESCACTVS3.385COc1ccc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl
SMILESOpenEye OEToolkits2.0.7COc1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl

223532

件を2024-08-07に公開中

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