CWA

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Summary

Name:(4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one
Formula:C15 H14 F2 N2 O2
Formal charge:0
Molecular weight:292.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one
OpenEye OEToolkits2.0.6(4~{R})-4-[5-[bis(fluoranyl)methyl]imidazol-1-yl]-3,3-dimethyl-4~{H}-isochromen-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc2C(C(C)(C)OC(c2cc1)=O)n3cncc3C(F)F
InChIInChI1.03InChI=1S/C15H14F2N2O2/c1-15(2)12(19-8-18-7-11(19)13(16)17)9-5-3-4-6-10(9)14(20)21-15/h3-8,12-13H,1-2H3/t12-/m1/s1
InChIKeyInChI1.03LAMQMSRGFJHTEW-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385CC1(C)OC(=O)c2ccccc2[C@H]1n3cncc3C(F)F
SMILESCACTVS3.385CC1(C)OC(=O)c2ccccc2[CH]1n3cncc3C(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C
SMILESOpenEye OEToolkits2.0.6CC1(C(c2ccccc2C(=O)O1)n3cncc3C(F)F)C