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

Systemtic Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-octyl-pyridazine Openeye Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-octyl-pyridazine CAS Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-octylpyridazine IUPAC Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-octylpyridazine Traditional Name: 3-[2-(4-methoxyphenyl)ethynyl]-6-octyl-pyridazine Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-3-4-5-6-7-8-9-19-14-15-20(23-22-19)13-10-18-11-16-21(24-2)17-12-18/h11-12,14-17H,3-9H2,1-2H3