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A1EMT

Summary
Name:1-ethyl-~{N}-methyl-5-phenyl-~{N}-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazole-4-carboxamide
Formula:C24 H24 F3 N3 O
Formal charge:0
Formula weight:427.462 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-ethyl-~{N}-methyl-5-phenyl-~{N}-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H24F3N3O/c1-3-30-22(16-8-5-4-6-9-16)21(15-28-30)23(31)29(2)20-13-18(14-20)17-10-7-11-19(12-17)24(25,26)27/h4-12,15,18,20H,3,13-14H2,1-2H3/t18-,20+
InChIKeyInChI1.06VWSNDEZRLZHMNM-PUZFROQSSA-N
SMILES_CANONICALCACTVS3.385CCn1ncc(C(=O)N(C)[C@@H]2C[C@@H](C2)c3cccc(c3)C(F)(F)F)c1c4ccccc4
SMILESCACTVS3.385CCn1ncc(C(=O)N(C)[CH]2C[CH](C2)c3cccc(c3)C(F)(F)F)c1c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CCn1c(c(cn1)C(=O)N(C)C2CC(C2)c3cccc(c3)C(F)(F)F)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CCn1c(c(cn1)C(=O)N(C)C2CC(C2)c3cccc(c3)C(F)(F)F)c4ccccc4

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PDB entries from 2026-03-25

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