1-[[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-imidazo[4,5-c]pyridine-3-carboxylic acid

Systemtic Name: 1-[[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-imidazo[4,5-c]pyridine-3-carboxylic acid Openeye Name: 1-[(5-cyano-1-isopentyl-benzimidazol-2-yl)methyl]-2-oxo-imidazo[4,5-c]pyridine-3-carboxylic acid CAS Name: 1-[[5-cyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-3-imidazo[4,5-c]pyridinecarboxylic acid IUPAC Name: 1-[[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridine-3-carboxylic acid Traditional Name: 1-[(5-cyano-1-isoamyl-benzimidazol-2-yl)methyl]-2-keto-imidazo[4,5-c]pyridine-3-carboxylic acid Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1CN3C4=C(C=NC=C4)N(C3=O)C(=O)O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1CN3C4=C(C=NC=C4)N(C3=O)C(=O)O

InChI

InChI=1S/C21H20N6O3/c1-13(2)6-8-25-16-4-3-14(10-22)9-15(16)24-19(25)12-26-17-5-7-23-11-18(17)27(20(26)28)21(29)30/h3-5,7,9,11,13H,6,8,12H2,1-2H3,(H,29,30)