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6SR

Summary
Name:5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
Formula:C21 H20 N2 O4
Formal charge:0
Formula weight:364.395 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.55-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H20N2O4/c24-18-5-1-14-11-16(3-4-17(14)18)22-7-9-23(10-8-22)21(25)15-2-6-19-20(12-15)27-13-26-19/h2-4,6,11-12H,1,5,7-10,13H2
InChIKeyInChI1.03JAFWBQRYWNPFPG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1CCc2cc(ccc12)N3CCN(CC3)C(=O)c4ccc5OCOc5c4
SMILESCACTVS3.385O=C1CCc2cc(ccc12)N3CCN(CC3)C(=O)c4ccc5OCOc5c4
SMILES_CANONICALOpenEye OEToolkits2.0.5c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2
SMILESOpenEye OEToolkits2.0.5c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2

227111

数据于2024-11-06公开中

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