5-azanyl-2-[[4-bromanyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[[4-bromanyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-[4-bromo-3-(trifluoromethyl)benzyl]-3-pyrazolin-3-one Formula: C11H9BrF3N3O MolecularWeight: 336.10787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C(=O)C=C(N2)N)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=C(C=C1CN2C(=O)C=C(N2)N)C(F)(F)F)Br

InChI

InChI=1S/C11H9BrF3N3O/c12-8-2-1-6(3-7(8)11(13,14)15)5-18-10(19)4-9(16)17-18/h1-4,17H,5,16H2