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7I1

Summary
Name:3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide
Formula:C26 H26 N2 O3
Formal charge:0
Formula weight:414.496 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-methyl-N-(naphthalen-1-ylmethyl)-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxamide
OpenEye OEToolkits1.9.23-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCc2c1ccccc1ccc2)c5oc4cccc(OC3CCNCC3)c4c5C
InChIInChI1.03InChI=1S/C26H26N2O3/c1-17-24-22(30-20-12-14-27-15-13-20)10-5-11-23(24)31-25(17)26(29)28-16-19-8-4-7-18-6-2-3-9-21(18)19/h2-11,20,27H,12-16H2,1H3,(H,28,29)
InChIKeyInChI1.03JDZKIYVLMLQBQF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)NCc4cccc5ccccc45
SMILESCACTVS3.385Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)NCc4cccc5ccccc45
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5
SMILESOpenEye OEToolkits1.9.2Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5

225946

PDB entries from 2024-10-09

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