1-[3-(2-isoquinolin-4-ylethynyl)phenyl]ethanone

Systemtic Name: 1-[3-(2-isoquinolin-4-ylethynyl)phenyl]ethanone Openeye Name: 1-[3-[2-(4-isoquinolyl)ethynyl]phenyl]ethanone CAS Name: 1-[3-[2-(4-isoquinolinyl)ethynyl]phenyl]ethanone IUPAC Name: 1-[3-(2-isoquinolin-4-ylethynyl)phenyl]ethanone Traditional Name: 1-[3-[2-(4-isoquinolyl)ethynyl]phenyl]ethanone Formula: C19H13NO MolecularWeight: 271.31262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C#CC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C#CC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C19H13NO/c1-14(21)16-7-4-5-15(11-16)9-10-18-13-20-12-17-6-2-3-8-19(17)18/h2-8,11-13H,1H3