2-iodanyl-N-[4-(2-pyren-1-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-iodanyl-N-[4-(2-pyren-1-ylethynyl)phenyl]ethanamide Openeye Name: 2-iodo-N-[4-(2-pyren-1-ylethynyl)phenyl]acetamide CAS Name: 2-iodo-N-[4-[2-(1-pyrenyl)ethynyl]phenyl]acetamide IUPAC Name: 2-iodo-N-[4-(2-pyren-1-ylethynyl)phenyl]acetamide Traditional Name: 2-iodo-N-[4-(2-pyren-1-ylethynyl)phenyl]acetamide Formula: C26H16INO MolecularWeight: 485.31581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)NC(=O)CI

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)NC(=O)CI

InChI

InChI=1S/C26H16INO/c27-16-24(29)28-22-13-5-17(6-14-22)4-7-18-8-9-21-11-10-19-2-1-3-20-12-15-23(18)26(21)25(19)20/h1-3,5-6,8-15H,16H2,(H,28,29)