4-[[3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[3-[[1-(4-hydroxybutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-keto-benzimidazol-1-yl]methyl]benzonitrile Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCCO)CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCCO)CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H25N5O2/c28-17-20-11-13-21(14-12-20)18-31-24-9-3-4-10-25(24)32(27(31)34)19-26-29-22-7-1-2-8-23(22)30(26)15-5-6-16-33/h1-4,7-14,33H,5-6,15-16,18-19H2