4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-(1-oxododecyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-lauroyl-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H32N2O2 MolecularWeight: 356.50168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H32N2O2/c1-3-4-5-6-7-8-9-10-14-17-20(25)21-18(2)23-24(22(21)26)19-15-12-11-13-16-19/h11-13,15-16,21H,3-10,14,17H2,1-2H3