2-[3-(3-methylbutyl)-2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(3-methylbutyl)-2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazol-5-yl]ethanenitrile Openeye Name: 2-[3-isopentyl-2-[(3-isopropyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-5-yl]acetonitrile CAS Name: 2-[3-(3-methylbutyl)-2-[(2-oxo-3-propan-2-yl-1-benzimidazolyl)methyl]-5-benzimidazolyl]acetonitrile IUPAC Name: 2-[3-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]acetonitrile Traditional Name: 2-[3-isoamyl-2-[(3-isopropyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-5-yl]acetonitrile Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)CC#N)N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)CC#N)N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C

InChI

InChI=1S/C25H29N5O/c1-17(2)12-14-28-23-15-19(11-13-26)9-10-20(23)27-24(28)16-29-21-7-5-6-8-22(21)30(18(3)4)25(29)31/h5-10,15,17-18H,11-12,14,16H2,1-4H3