2-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chloranyl-phenoxy]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 2-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chloranyl-phenoxy]methyl]benzenecarbonitrile hydrochloride Openeye Name: 2-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chloro-phenoxy]methyl]benzonitrile hydrochloride CAS Name: 2-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chlorophenoxy]methyl]benzonitrile hydrochloride IUPAC Name: 2-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chlorophenoxy]methyl]benzonitrile hydrochloride Traditional Name: 2-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-chloro-phenoxy]methyl]benzonitrile hydrochloride Formula: C25H23Cl2N3O MolecularWeight: 452.37562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)OCC4=CC=CC=C4C#N.Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)OCC4=CC=CC=C4C#N.Cl

InChI

InChI=1S/C25H22ClN3O.ClH/c1-25(2,3)19-9-11-21-22(13-19)29-24(28-21)16-8-10-20(26)23(12-16)30-15-18-7-5-4-6-17(18)14-27;/h4-13H,15H2,1-3H3,(H,28,29);1H