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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)CC(=N1)C2=CC=CC=C2

InChI

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