4-butyl-2-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-butyl-2-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-butyl-2-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-butyl-2-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-butyl-2-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-butyl-2-(2-methoxyphenyl)-5-methyl-3-pyrazolin-3-one Formula: C15H20N2O2 MolecularWeight: 260.3315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=CC=CC=C2OC)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=CC=CC=C2OC)C

InChI

InChI=1S/C15H20N2O2/c1-4-5-8-12-11(2)16-17(15(12)18)13-9-6-7-10-14(13)19-3/h6-7,9-10,16H,4-5,8H2,1-3H3