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70Q

概要
表記:3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
組成式:C24 H22 N4 O4 S
電荷:0
化学式量:462.521 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.013-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
OpenEye OEToolkits2.0.5~{N}-[3-(dimethylsulfamoyl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-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
SMILESACDLabs12.01C2(C(Nc1cccc(S(=O)(=O)N(C)C)c1)=O)=NN(C(c3ccccc23)=O)Cc4ccccc4
InChIInChI1.03InChI=1S/C24H22N4O4S/c1-27(2)33(31,32)19-12-8-11-18(15-19)25-23(29)22-20-13-6-7-14-21(20)24(30)28(26-22)16-17-9-4-3-5-10-17/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyInChI1.03OJXRUHXUBUPFDA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)[S](=O)(=O)c1cccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)c4ccccc24)c1
SMILESCACTVS3.385CN(C)[S](=O)(=O)c1cccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)c4ccccc24)c1
SMILES_CANONICALOpenEye OEToolkits2.0.5CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4
SMILESOpenEye OEToolkits2.0.5CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4

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件を2024-07-31に公開中

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