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

Systemtic Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-octyl-pyridazine Openeye Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-octyl-pyridazine CAS Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-octylpyridazine IUPAC Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-octylpyridazine Traditional Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-octyl-pyridazine Formula: C24H32N2O MolecularWeight: 364.52368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O/c1-3-5-7-8-9-10-11-22-16-17-23(26-25-22)15-12-21-13-18-24(19-14-21)27-20-6-4-2/h13-14,16-19H,3-11,20H2,1-2H3