4,5-dimethyl-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one

Systemtic Name: 4,5-dimethyl-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one Openeye Name: 2-(1-benzylpropyl)-4,5-dimethyl-1H-pyrazol-3-one CAS Name: 4,5-dimethyl-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one IUPAC Name: 4,5-dimethyl-2-(1-phenylbutan-2-yl)-1H-pyrazol-3-one Traditional Name: 2-(1-benzylpropyl)-4,5-dimethyl-3-pyrazolin-3-one Formula: C15H20N2O MolecularWeight: 244.3321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)N2C(=O)C(=C(N2)C)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)N2C(=O)C(=C(N2)C)C

InChI

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