2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-phenyl-ethanone

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-phenyl-ethanone Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-phenyl-ethanone CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-phenylethanone IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanone Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-phenyl-ethanone Formula: C13H13BrN2O MolecularWeight: 293.15912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC=CC=C2)C)Br

InChI

InChI=1S/C13H13BrN2O/c1-9-13(14)10(2)16(15-9)8-12(17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3