4-[(4-bromophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(4-bromophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-bromophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-bromophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-bromophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-bromobenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C11H8BrF3N2O MolecularWeight: 321.09323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NNC2=O)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NNC2=O)C(F)(F)F)Br

InChI

InChI=1S/C11H8BrF3N2O/c12-7-3-1-6(2-4-7)5-8-9(11(13,14)15)16-17-10(8)18/h1-4H,5H2,(H2,16,17,18)