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NT0

Summary
Name:N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide
Synonyms:2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide
Formula:C23 H19 N3 O2
Formal charge:0
Formula weight:369.416 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H19N3O2/c27-22(15-19-12-7-13-28-19)26-23-20(14-17-8-3-1-4-9-17)25-21(16-24-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,26,27)
InChIKeyInChI1.06SGNAEEQPPHGYPX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4
SMILESCACTVS3.385O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4

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PDB entries from 2024-08-07

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