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VRV

Summary
Name:6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
Formula:C18 H11 Br N2 O2
Formal charge:0
Formula weight:367.196 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
OpenEye OEToolkits1.5.06-(5-bromo-2-hydroxy-phenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#CC2=C(C=C(c1cc(Br)ccc1O)NC2=O)c3ccccc3
SMILES_CANONICALCACTVS3.341Oc1ccc(Br)cc1C2=CC(=C(C#N)C(=O)N2)c3ccccc3
SMILESCACTVS3.341Oc1ccc(Br)cc1C2=CC(=C(C#N)C(=O)N2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N
InChIInChI1.03InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
InChIKeyInChI1.03SVSYJTYGPLVUOZ-UHFFFAOYSA-N

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PDB entries from 2024-09-11

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