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ZO5

Summary
Name:N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:C18 H19 N3 O5
Formal charge:0
Formula weight:357.361 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCN(CC1)C(=O)NCc1ccc2OCOc2c1)c1ccco1
InChIInChI1.06InChI=1S/C18H19N3O5/c22-17(15-2-1-9-24-15)20-5-7-21(8-6-20)18(23)19-11-13-3-4-14-16(10-13)26-12-25-14/h1-4,9-10H,5-8,11-12H2,(H,19,23)
InChIKeyInChI1.06OROHVINEJMFCOR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occc4
SMILESCACTVS3.385O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc4c(c3)OCO4
SMILESOpenEye OEToolkits2.0.7c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc4c(c3)OCO4

222415

數據於2024-07-10公開中

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