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SummaryGeometryRelated PDB entries

ZKL

Summary
Name:(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
Formula:C15 H23 N3 O3
Formal charge:0
Formula weight:293.361 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
OpenEye OEToolkits2.0.7(2~{S})-~{N}-butyl-4-(furan-2-ylcarbonyl)-2-methyl-piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1
InChIInChI1.06InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-9-8-17(11-12(18)2)14(19)13-6-5-10-21-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1
InChIKeyInChI1.06HESHQILVHQSCOB-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2occc2
SMILESCACTVS3.385CCCCNC(=O)N1CCN(C[CH]1C)C(=O)c2occc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2ccco2
SMILESOpenEye OEToolkits2.0.7CCCCNC(=O)N1CCN(CC1C)C(=O)c2ccco2

222415

PDB entries from 2024-07-10

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