4,5-dimethyl-2-phenethyl-1H-pyrazol-3-one

Systemtic Name: 4,5-dimethyl-2-phenethyl-1H-pyrazol-3-one Openeye Name: 4,5-dimethyl-2-phenethyl-1H-pyrazol-3-one CAS Name: 4,5-dimethyl-2-phenethyl-1H-pyrazol-3-one IUPAC Name: 4,5-dimethyl-2-phenethyl-1H-pyrazol-3-one Traditional Name: 4,5-dimethyl-2-phenethyl-3-pyrazolin-3-one Formula: C13H16N2O MolecularWeight: 216.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(NN(C1=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C13H16N2O/c1-10-11(2)14-15(13(10)16)9-8-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3