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SummaryGeometryRelated PDB entries

DZ0

Summary
Name:(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one
Formula:C23 H25 N O2
Formal charge:0
Formula weight:347.45 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+
InChIKeyInChI1.03CNIWTTNRVIMZIP-DEDYPNTBSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2c(CC(=C/C3CCN(CC3)Cc4ccccc4)\C2=O)c1
SMILESCACTVS3.385COc1ccc2c(CC(=CC3CCN(CC3)Cc4ccccc4)C2=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O
SMILESOpenEye OEToolkits2.0.6COc1ccc2c(c1)CC(=CC3CCN(CC3)Cc4ccccc4)C2=O

222624

PDB entries from 2024-07-17

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