4-butyl-3-oxidanyl-2-phenyl-1H-pyrazol-5-one

Systemtic Name: 4-butyl-3-oxidanyl-2-phenyl-1H-pyrazol-5-one Openeye Name: 4-butyl-3-hydroxy-2-phenyl-1H-pyrazol-5-one CAS Name: 4-butyl-3-hydroxy-2-phenyl-1H-pyrazol-5-one IUPAC Name: 4-butyl-3-hydroxy-2-phenyl-1H-pyrazol-5-one Traditional Name: 4-butyl-5-hydroxy-1-phenyl-3-pyrazolin-3-one Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(NC1=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCC1=C(N(NC1=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,17H,2-3,9H2,1H3,(H,14,16)