4-dodecyl-5-phenyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-dodecyl-5-phenyl-1,2-dihydropyrazol-3-one Openeye Name: 4-dodecyl-5-phenyl-1,2-dihydropyrazol-3-one CAS Name: 4-dodecyl-5-phenyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-dodecyl-5-phenyl-1,2-dihydropyrazol-3-one Traditional Name: 4-lauryl-5-phenyl-3-pyrazolin-3-one Formula: C21H32N2O MolecularWeight: 328.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(NNC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=C(NNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C21H32N2O/c1-2-3-4-5-6-7-8-9-10-14-17-19-20(22-23-21(19)24)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H2,22,23,24)