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

Systemtic Name: 4-hexyl-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-hexyl-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-hexyl-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-hexyl-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-hexyl-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C16H22N2O MolecularWeight: 258.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H22N2O/c1-3-4-5-9-12-15-13(2)17-18(16(15)19)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12H2,1-2H3