2-[2-iodanyl-1-(5-phenylpent-4-ynyl)indol-3-yl]ethanenitrile

Systemtic Name: 2-[2-iodanyl-1-(5-phenylpent-4-ynyl)indol-3-yl]ethanenitrile Openeye Name: 2-[2-iodo-1-(5-phenylpent-4-ynyl)indol-3-yl]acetonitrile CAS Name: 2-[2-iodo-1-(5-phenylpent-4-ynyl)-3-indolyl]acetonitrile IUPAC Name: 2-[2-iodo-1-(5-phenylpent-4-ynyl)indol-3-yl]acetonitrile Traditional Name: 2-[2-iodo-1-(5-phenylpent-4-ynyl)indol-3-yl]acetonitrile Formula: C21H17IN2 MolecularWeight: 424.27755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCCCN2C3=CC=CC=C3C(=C2I)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C#CCCCN2C3=CC=CC=C3C(=C2I)CC#N

InChI

InChI=1S/C21H17IN2/c22-21-19(14-15-23)18-12-6-7-13-20(18)24(21)16-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13H,2,8,14,16H2