1-[4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanone

Systemtic Name: 1-[4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanone Openeye Name: 1-[4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanone CAS Name: 1-[4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanone IUPAC Name: 1-[4-[2-(4-dodecylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanone Traditional Name: 1-[4-[1-(4-laurylphenyl)-2-pyrazolin-3-yl]phenyl]ethanone Formula: C29H40N2O MolecularWeight: 432.6407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C29H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-25-14-20-28(21-15-25)31-23-22-29(30-31)27-18-16-26(17-19-27)24(2)32/h14-21H,3-13,22-23H2,1-2H3