5-tert-butyl-2-(phenylmethyl)pyrazole-3-carbonyl chloride

Systemtic Name: 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carbonyl chloride Openeye Name: 2-benzyl-5-tert-butyl-pyrazole-3-carbonyl chloride CAS Name: 5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarbonyl chloride IUPAC Name: 2-benzyl-5-tert-butylpyrazole-3-carbonyl chloride Traditional Name: 2-benzyl-5-tert-butyl-pyrazole-3-carbonyl chloride Formula: C15H17ClN2O MolecularWeight: 276.76128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O/c1-15(2,3)13-9-12(14(16)19)18(17-13)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3