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

Systemtic Name: 2-[4-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)-4-imidazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-1-chloro-5-methylol-imidazol-4-yl)methyl]phenyl]benzonitrile Formula: C22H22ClN3O MolecularWeight: 379.88258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H22ClN3O/c1-2-3-8-22-25-20(21(15-27)26(22)23)13-16-9-11-17(12-10-16)19-7-5-4-6-18(19)14-24/h4-7,9-12,27H,2-3,8,13,15H2,1H3