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70Q

Summary
Name:3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Formula:C24 H22 N4 O4 S
Formal charge:0
Formula weight:462.521 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
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

Chemical Descriptors

TypeProgramVersionDescriptor
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

223166

건을2024-07-31부터공개중

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