1-pyridin-2-ylhexadec-2-yn-1-one

Systemtic Name: 1-pyridin-2-ylhexadec-2-yn-1-one Openeye Name: 1-(2-pyridyl)hexadec-2-yn-1-one CAS Name: 1-(2-pyridinyl)-2-hexadecyn-1-one IUPAC Name: 1-pyridin-2-ylhexadec-2-yn-1-one Traditional Name: 1-(2-pyridyl)hexadec-2-yn-1-one Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(=O)C1=CC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCC#CC(=O)C1=CC=CC=N1

InChI

InChI=1S/C21H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(23)20-17-15-16-19-22-20/h15-17,19H,2-13H2,1H3