2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodanyl-imidazol-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodanyl-imidazol-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodo-imidazol-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodo-1-imidazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodoimidazol-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-4-iodo-5-methylol-imidazol-1-yl)methyl]phenyl]benzonitrile Formula: C22H22IN3O MolecularWeight: 471.33405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CO)I

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CO)I

InChI

InChI=1S/C22H22IN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3