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Y2J

Summary
Name:4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Formula:C13 H18 Cl N3 O4
Formal charge:0
Formula weight:315.753 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
OpenEye OEToolkits2.0.74-(5-chloranylfuran-2-yl)carbonyl-~{N}-(2-methoxyethyl)piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O
InChIInChI1.03InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19)
InChIKeyInChI1.03VHIWNIAUJINVEH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2
SMILESCACTVS3.385COCCNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl
SMILESOpenEye OEToolkits2.0.7COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl

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PDB entries from 2024-07-17

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