methyl-[4-[3-methyl-5-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]borinic acid

Systemtic Name: methyl-[4-[3-methyl-5-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]borinic acid Openeye Name: methyl-[4-[3-methyl-5-(trifluoromethyl)benzoyl]piperazin-1-yl]borinic acid CAS Name: methyl-[4-[[3-methyl-5-(trifluoromethyl)phenyl]-oxomethyl]-1-piperazinyl]borinic acid IUPAC Name: methyl-[4-[3-methyl-5-(trifluoromethyl)benzoyl]piperazin-1-yl]borinic acid Traditional Name: methyl-[4-[3-methyl-5-(trifluoromethyl)benzoyl]piperazino]borinic acid Formula: C14H18BF3N2O2 MolecularWeight: 314.11113

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCN(CC1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C)O

Isomeric SMILES

B(C)(N1CCN(CC1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C)O

InChI

InChI=1S/C14H18BF3N2O2/c1-10-7-11(9-12(8-10)14(16,17)18)13(21)19-3-5-20(6-4-19)15(2)22/h7-9,22H,3-6H2,1-2H3