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EZZ

Summary
Name:(3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one
Formula:C19 H19 N3 O2
Formal charge:0
Formula weight:321.373 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H19N3O2/c1-22(2)10-16-17(13-5-3-4-6-15(13)20-16)18-14-9-11(23)7-8-12(14)19(24)21-18/h3-9,18,20,23H,10H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyInChI1.03MPCMVISHWIWVIQ-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.385CN(C)Cc1[nH]c2ccccc2c1[C@H]3NC(=O)c4ccc(O)cc34
SMILESCACTVS3.385CN(C)Cc1[nH]c2ccccc2c1[CH]3NC(=O)c4ccc(O)cc34
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O
SMILESOpenEye OEToolkits2.0.6CN(C)Cc1c(c2ccccc2[nH]1)C3c4cc(ccc4C(=O)N3)O

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数据于2024-07-17公开中

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