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SummaryGeometryRelated PDB entries

DL2

Summary
Name:5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one
Formula:C18 H17 Cl N2 O4
Formal charge:0
Formula weight:360.792 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.65-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H17ClN2O4/c19-13-6-5-12(20-17(13)23)11-16(22)21-9-7-18(8-10-21)24-14-3-1-2-4-15(14)25-18/h1-4,6H,5,7-11H2
InChIKeyInChI1.03PBLFEEIOVIDZSW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClC1=CCC(=NC1=O)CC(=O)N2CCC3(CC2)Oc4ccccc4O3
SMILESCACTVS3.385ClC1=CCC(=NC1=O)CC(=O)N2CCC3(CC2)Oc4ccccc4O3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl

222624

PDB entries from 2024-07-17

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