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

Systemtic Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-pentyl-pyridazine Openeye Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-pentyl-pyridazine CAS Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-pentylpyridazine IUPAC Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-pentylpyridazine Traditional Name: 3-amyl-6-[2-(4-butoxyphenyl)ethynyl]pyridazine Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C21H26N2O/c1-3-5-7-8-19-13-14-20(23-22-19)12-9-18-10-15-21(16-11-18)24-17-6-4-2/h10-11,13-16H,3-8,17H2,1-2H3