5-tert-butyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-phenyl-2-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3