5-heptadecyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-heptadecyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-heptadecyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-heptadecyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-heptadecyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-heptadecyl-2-phenyl-2-pyrazolin-3-one Formula: C26H42N2O MolecularWeight: 398.62448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24-23-26(29)28(27-24)25-21-18-16-19-22-25/h16,18-19,21-22H,2-15,17,20,23H2,1H3