2-(2-methylpropyl)-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-(2-methylpropyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-isobutyl-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(2-methylpropyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(2-methylpropyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-isobutyl-5-phenyl-2-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)CC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=O)CC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O/c1-10(2)9-15-13(16)8-12(14-15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3