4-(2-hexadecoxyphenyl)-2-phenyl-1H-pyrazol-5-one

Systemtic Name: 4-(2-hexadecoxyphenyl)-2-phenyl-1H-pyrazol-5-one Openeye Name: 4-(2-hexadecoxyphenyl)-2-phenyl-1H-pyrazol-5-one CAS Name: 4-(2-hexadecoxyphenyl)-2-phenyl-1H-pyrazol-5-one IUPAC Name: 4-(2-hexadecoxyphenyl)-2-phenyl-1H-pyrazol-5-one Traditional Name: 4-(2-cetyloxyphenyl)-1-phenyl-3-pyrazolin-3-one Formula: C31H44N2O2 MolecularWeight: 476.69326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C2=CN(NC2=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C2=CN(NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C31H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35-30-24-19-18-23-28(30)29-26-33(32-31(29)34)27-21-16-15-17-22-27/h15-19,21-24,26H,2-14,20,25H2,1H3,(H,32,34)