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

Systemtic Name: 5-hexyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-hexyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-hexyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-hexyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-hexyl-2-phenyl-2-pyrazolin-3-one Formula: C15H20N2O MolecularWeight: 244.3321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O/c1-2-3-4-6-9-13-12-15(18)17(16-13)14-10-7-5-8-11-14/h5,7-8,10-11H,2-4,6,9,12H2,1H3