5-heptyl-2-[2-(4-pentylphenyl)ethynyl]pyridine

Systemtic Name: 5-heptyl-2-[2-(4-pentylphenyl)ethynyl]pyridine Openeye Name: 5-heptyl-2-[2-(4-pentylphenyl)ethynyl]pyridine CAS Name: 5-heptyl-2-[2-(4-pentylphenyl)ethynyl]pyridine IUPAC Name: 5-heptyl-2-[2-(4-pentylphenyl)ethynyl]pyridine Traditional Name: 2-[2-(4-amylphenyl)ethynyl]-5-heptyl-pyridine Formula: C25H33N MolecularWeight: 347.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C25H33N/c1-3-5-7-8-10-12-24-18-20-25(26-21-24)19-17-23-15-13-22(14-16-23)11-9-6-4-2/h13-16,18,20-21H,3-12H2,1-2H3