2-bromanyl-1-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]ethanone

Systemtic Name: 2-bromanyl-1-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]ethanone Openeye Name: 1-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-2-bromo-ethanone CAS Name: 2-bromo-1-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]ethanone IUPAC Name: 1-(2-benzyl-5-tert-butylpyrazol-3-yl)-2-bromoethanone Traditional Name: 1-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-2-bromo-ethanone Formula: C16H19BrN2O MolecularWeight: 335.23886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)CBr)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)CBr)CC2=CC=CC=C2

InChI

InChI=1S/C16H19BrN2O/c1-16(2,3)15-9-13(14(20)10-17)19(18-15)11-12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3