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O8B

Summary
Name:2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
Formula:C22 H20 N4 O2
Formal charge:0
Formula weight:372.42 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
OpenEye OEToolkits1.7.02-(2-methylphenoxy)-N-[2-(4-methylphenyl)benzotriazol-5-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc2nn(nc2c1)c3ccc(cc3)C)COc4ccccc4C
SMILES_CANONICALCACTVS3.370Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2
SMILESCACTVS3.370Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C
SMILESOpenEye OEToolkits1.7.0Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C
InChIInChI1.03InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyInChI1.03LKAZLKLHUAIYCE-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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