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SummaryGeometryRelated PDB entries

6BJ

Summary
Name:N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
Formula:C21 H17 N5 O
Formal charge:0
Formula weight:355.393 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
OpenEye OEToolkits2.0.4~{N}-(pyridin-2-ylmethyl)-4-(4-pyridin-4-ylpyrazol-1-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(c1ccncc1)cn(nc2)c3ccc(cc3)C(=O)NCc4ccccn4
InChIInChI1.03InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
InChIKeyInChI1.03UKGSBPKSNSXMDN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(NCc1ccccn1)c2ccc(cc2)n3cc(cn3)c4ccncc4
SMILESCACTVS3.385O=C(NCc1ccccn1)c2ccc(cc2)n3cc(cn3)c4ccncc4
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4
SMILESOpenEye OEToolkits2.0.4c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4

224931

PDB entries from 2024-09-11

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