2-tert-butyl-5-phenyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-phenyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-phenyl-1H-pyrazol-3-one CAS Name: 2-tert-butyl-5-phenyl-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-5-phenyl-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-5-phenyl-3-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N1C(=O)C=C(N1)C2=CC=CC=C2

InChI

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