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

Systemtic Name: 4-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]methyl]benzonitrile Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H27N5O/c1-20(2)15-16-31-24-8-4-3-7-23(24)30-27(31)19-33-26-10-6-5-9-25(26)32(28(33)34)18-22-13-11-21(17-29)12-14-22/h3-14,20H,15-16,18-19H2,1-2H3