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YLE

Summary
Name:8-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Formula:C15 H12 N2 O2
Formal charge:0
Formula weight:252.268 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.78-(furan-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H12N2O2/c18-15-14-12(4-6-16-15)11-3-1-2-10(13(11)17-14)9-5-7-19-8-9/h1-3,5,7-8,17H,4,6H2,(H,16,18)
InChIKeyInChI1.06RVVFCLYULJUEDG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NCCc2c1[nH]c3c2cccc3c4cocc4
SMILESCACTVS3.385O=C1NCCc2c1[nH]c3c2cccc3c4cocc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c3c([nH]c2c(c1)c4ccoc4)C(=O)NCC3
SMILESOpenEye OEToolkits2.0.7c1cc2c3c([nH]c2c(c1)c4ccoc4)C(=O)NCC3

225946

PDB entries from 2024-10-09

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