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

Systemtic Name: 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzimidazol-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzimidazol-1-yl]benzonitrile CAS Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-benzimidazolyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzimidazol-1-yl]benzonitrile Traditional Name: 2-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzimidazol-1-yl]benzonitrile Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C3C(=CC=C2)N(C=N3)C4=CC=CC=C4C#N)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C3C(=CC=C2)N(C=N3)C4=CC=CC=C4C#N)CO)Cl

InChI

InChI=1S/C23H22ClN5O/c1-2-3-11-21-27-23(24)20(14-30)28(21)13-17-8-6-10-19-22(17)26-15-29(19)18-9-5-4-7-16(18)12-25/h4-10,15,30H,2-3,11,13-14H2,1H3