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ZIM

Summary
Name:N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:C16 H16 Cl N3 O3
Formal charge:0
Formula weight:333.77 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-(2-chlorophenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1
InChIInChI1.06InChI=1S/C16H16ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)
InChIKeyInChI1.06WXIMHLJBEWNBSA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3
SMILESCACTVS3.385Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)Cl

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數據於2024-07-17公開中

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