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4XA

Summary
Name:3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide
Formula:C22 H19 N3 O2
Formal charge:0
Formula weight:357.405 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide
OpenEye OEToolkits1.9.23-(5,6-dimethylisoindol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(C)c(cc2c1cn(c2)c4cc(C(=O)NN=[C@H]c3occc3)ccc4)C
InChIInChI1.03InChI=1S/C22H19N3O2/c1-15-9-18-13-25(14-19(18)10-16(15)2)20-6-3-5-17(11-20)22(26)24-23-12-21-7-4-8-27-21/h3-14H,1-2H3,(H,24,26)/b23-12+
InChIKeyInChI1.03JOUFONRDAYRIBB-FSJBWODESA-N
SMILES_CANONICALCACTVS3.385Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4occc4
SMILESCACTVS3.385Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4occc4
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4
SMILESOpenEye OEToolkits1.9.2Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)NN=Cc4ccco4

223532

数据于2024-08-07公开中

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