2-[2-[2,3-bis(fluoranyl)-4-methoxy-phenyl]ethynyl]-5-heptyl-pyridine

Systemtic Name: 2-[2-[2,3-bis(fluoranyl)-4-methoxy-phenyl]ethynyl]-5-heptyl-pyridine Openeye Name: 2-[2-(2,3-difluoro-4-methoxy-phenyl)ethynyl]-5-heptyl-pyridine CAS Name: 2-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-5-heptylpyridine IUPAC Name: 2-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]-5-heptylpyridine Traditional Name: 2-[2-(2,3-difluoro-4-methoxy-phenyl)ethynyl]-5-heptyl-pyridine Formula: C21H23F2NO MolecularWeight: 343.410226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C#CC2=C(C(=C(C=C2)OC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C#CC2=C(C(=C(C=C2)OC)F)F

InChI

InChI=1S/C21H23F2NO/c1-3-4-5-6-7-8-16-9-12-18(24-15-16)13-10-17-11-14-19(25-2)21(23)20(17)22/h9,11-12,14-15H,3-8H2,1-2H3