5-methyl-4-(2-methylpropyl)-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-methylpropyl)-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-isobutyl-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-(2-methylpropyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(2-methylpropyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-isobutyl-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C14H18N2O/c1-10(2)9-13-11(3)15-16(14(13)17)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3