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

Systemtic Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-heptyl-pyridazine Openeye Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-heptyl-pyridazine CAS Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-heptylpyridazine IUPAC Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-heptylpyridazine Traditional Name: 3-[2-(4-butoxyphenyl)ethynyl]-6-heptyl-pyridazine Formula: C23H30N2O MolecularWeight: 350.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C23H30N2O/c1-3-5-7-8-9-10-21-15-16-22(25-24-21)14-11-20-12-17-23(18-13-20)26-19-6-4-2/h12-13,15-18H,3-10,19H2,1-2H3