1-(1,3-diphenylpyrazol-4-yl)dodecan-1-one

Systemtic Name: 1-(1,3-diphenylpyrazol-4-yl)dodecan-1-one Openeye Name: 1-(1,3-diphenylpyrazol-4-yl)dodecan-1-one CAS Name: 1-(1,3-diphenyl-4-pyrazolyl)-1-dodecanone IUPAC Name: 1-(1,3-diphenylpyrazol-4-yl)dodecan-1-one Traditional Name: 1-(1,3-diphenylpyrazol-4-yl)dodecan-1-one Formula: C27H34N2O MolecularWeight: 402.57166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O/c1-2-3-4-5-6-7-8-9-16-21-26(30)25-22-29(24-19-14-11-15-20-24)28-27(25)23-17-12-10-13-18-23/h10-15,17-20,22H,2-9,16,21H2,1H3