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6ZP

Summary
Name:2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
Formula:C23 H15 N3 O
Formal charge:0
Formula weight:349.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
OpenEye OEToolkits2.0.52-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#Cc1ccccc1C3=CC(c2ncccc2)=CN(C3=O)c4ccccc4
InChIInChI1.03InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
InChIKeyInChI1.03PRMWGUBFXWROHD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
SMILESCACTVS3.385O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.5c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4
SMILESOpenEye OEToolkits2.0.5c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4

217705

PDB entries from 2024-03-27

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