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

Systemtic Name: 4-(3,3-dimethylbutanoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(3,3-dimethylbutanoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(3,3-dimethyl-1-oxobutyl)-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(3,3-dimethylbutanoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(3,3-dimethylbutanoyl)-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-11-14(13(19)10-16(2,3)4)15(20)18(17-11)12-8-6-5-7-9-12/h5-9,17H,10H2,1-4H3