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IGE

Summary
Name:2-[2-(4-methyl-2-phenyl-1H-imidazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Formula:C20 H17 N3 O2
Formal charge:0
Formula weight:331.368 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[2-(4-methyl-2-phenyl-1H-imidazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
OpenEye OEToolkits2.0.72-[2-(4-methyl-2-phenyl-1~{H}-imidazol-5-yl)ethyl]isoindole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1nc([NH]c1CCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI1.03InChI=1S/C20H17N3O2/c1-13-17(22-18(21-13)14-7-3-2-4-8-14)11-12-23-19(24)15-9-5-6-10-16(15)20(23)25/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyInChI1.03BIDCGVLZDMVKQX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc([nH]c1CCN2C(=O)c3ccccc3C2=O)c4ccccc4
SMILESCACTVS3.385Cc1nc([nH]c1CCN2C(=O)c3ccccc3C2=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c([nH]c(n1)c2ccccc2)CCN3C(=O)c4ccccc4C3=O
SMILESOpenEye OEToolkits2.0.7Cc1c([nH]c(n1)c2ccccc2)CCN3C(=O)c4ccccc4C3=O

222415

数据于2024-07-10公开中

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