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概要
表記:N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
組成式:C21 H18 N2 O3
電荷:0
化学式量:346.379 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-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
OpenEye OEToolkits2.0.7~{N}-[(3-methoxyphenyl)methyl]-5~{H}-chromeno[3,4-c]pyridine-8-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
SMILESACDLabs12.01c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O
InChIInChI1.03InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)
InChIKeyInChI1.03SIKMVWPMDNIKAY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)c2)c1
SMILESCACTVS3.385COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)c2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4

223790

件を2024-08-14に公開中

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