1-[2-(3-hexylpyridin-4-yl)phenyl]heptan-1-one

Systemtic Name: 1-[2-(3-hexylpyridin-4-yl)phenyl]heptan-1-one Openeye Name: 1-[2-(3-hexyl-4-pyridyl)phenyl]heptan-1-one CAS Name: 1-[2-(3-hexyl-4-pyridinyl)phenyl]-1-heptanone IUPAC Name: 1-[2-(3-hexylpyridin-4-yl)phenyl]heptan-1-one Traditional Name: 1-[2-(3-hexyl-4-pyridyl)phenyl]heptan-1-one Formula: C24H33NO MolecularWeight: 351.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CN=C1)C2=CC=CC=C2C(=O)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C=CN=C1)C2=CC=CC=C2C(=O)CCCCCC

InChI

InChI=1S/C24H33NO/c1-3-5-7-9-13-20-19-25-18-17-21(20)22-14-11-12-15-23(22)24(26)16-10-8-6-4-2/h11-12,14-15,17-19H,3-10,13,16H2,1-2H3