3-octyl-6-[2-(4-pentylphenyl)ethynyl]pyridazine

Systemtic Name: 3-octyl-6-[2-(4-pentylphenyl)ethynyl]pyridazine Openeye Name: 3-octyl-6-[2-(4-pentylphenyl)ethynyl]pyridazine CAS Name: 3-octyl-6-[2-(4-pentylphenyl)ethynyl]pyridazine IUPAC Name: 3-octyl-6-[2-(4-pentylphenyl)ethynyl]pyridazine Traditional Name: 3-[2-(4-amylphenyl)ethynyl]-6-octyl-pyridazine Formula: C25H34N2 MolecularWeight: 362.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C25H34N2/c1-3-5-7-8-9-11-13-24-20-21-25(27-26-24)19-18-23-16-14-22(15-17-23)12-10-6-4-2/h14-17,20-21H,3-13H2,1-2H3