1-methyl-2-phenyl-5-undecyl-pyrazol-3-one

Systemtic Name: 1-methyl-2-phenyl-5-undecyl-pyrazol-3-one Openeye Name: 1-methyl-2-phenyl-5-undecyl-pyrazol-3-one CAS Name: 1-methyl-2-phenyl-5-undecyl-3-pyrazolone IUPAC Name: 1-methyl-2-phenyl-5-undecylpyrazol-3-one Traditional Name: 1-methyl-2-phenyl-5-undecyl-3-pyrazolin-3-one Formula: C21H32N2O MolecularWeight: 328.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=CC=C2

InChI

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