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

Systemtic Name: 3-[1-(3-methylbutyl)-2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazol-4-yl]propanenitrile Openeye Name: 3-[1-isopentyl-2-[(3-isopropyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-4-yl]propanenitrile CAS Name: 3-[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-yl-1-benzimidazolyl)methyl]-4-benzimidazolyl]propanenitrile IUPAC Name: 3-[1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-4-yl]propanenitrile Traditional Name: 3-[1-isoamyl-2-[(3-isopropyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-4-yl]propionitrile Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O/c1-18(2)14-16-29-23-13-7-9-20(10-8-15-27)25(23)28-24(29)17-30-21-11-5-6-12-22(21)31(19(3)4)26(30)32/h5-7,9,11-13,18-19H,8,10,14,16-17H2,1-4H3