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41N

Summary
Name:1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
Formula:C20 H20 N2 O4
Formal charge:0
Formula weight:352.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
OpenEye OEToolkits1.9.21-[4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccc(cc1)N4CCN(C(=O)c2ccc3OCOc3c2)CC4)C
InChIInChI1.03InChI=1S/C20H20N2O4/c1-14(23)15-2-5-17(6-3-15)21-8-10-22(11-9-21)20(24)16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3
InChIKeyInChI1.03DMJGPASMZSNEAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4OCOc4c3
SMILESCACTVS3.385CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4OCOc4c3
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4
SMILESOpenEye OEToolkits1.9.2CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4

219140

PDB entries from 2024-05-01

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