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A1ASV

Summary
Name:N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
Formula:C15 H16 F3 N3 O
Formal charge:0
Formula weight:311.302 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
OpenEye OEToolkits2.0.7~{N}-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C)C(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F
InChIInChI1.06InChI=1S/C15H16F3N3O/c1-14(2,3)13(22)20-11-8-10(15(16,17)18)4-5-12(11)21-7-6-19-9-21/h4-9H,1-3H3,(H,20,22)
InChIKeyInChI1.06WCZICFAQRFQPAP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F
SMILESCACTVS3.385CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(C)(C)C(=O)Nc1cc(ccc1n2ccnc2)C(F)(F)F

250835

PDB entries from 2026-03-18

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