2-(imidazol-1-ylmethyl)-2-(4-iodophenyl)octanenitrile

Systemtic Name: 2-(imidazol-1-ylmethyl)-2-(4-iodophenyl)octanenitrile Openeye Name: 2-(imidazol-1-ylmethyl)-2-(4-iodophenyl)octanenitrile CAS Name: 2-(1-imidazolylmethyl)-2-(4-iodophenyl)octanenitrile IUPAC Name: 2-(imidazol-1-ylmethyl)-2-(4-iodophenyl)octanenitrile Traditional Name: 2-(imidazol-1-ylmethyl)-2-(4-iodophenyl)caprylonitrile Formula: C18H22IN3 MolecularWeight: 407.29185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)I

Isomeric SMILES

CCCCCCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H22IN3/c1-2-3-4-5-10-18(13-20,14-22-12-11-21-15-22)16-6-8-17(19)9-7-16/h6-9,11-12,15H,2-5,10,14H2,1H3