3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-oxidanylidene-benzimidazole-1-carboxylic acid

Systemtic Name: 3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-oxidanylidene-benzimidazole-1-carboxylic acid Openeye Name: 3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-oxo-benzimidazole-1-carboxylic acid CAS Name: 3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methylpentyl]-2-oxo-1-benzimidazolecarboxylic acid IUPAC Name: 3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methylpentyl]-2-oxobenzimidazole-1-carboxylic acid Traditional Name: 3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-keto-benzimidazole-1-carboxylic acid Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C#N)N3C4=CC=CC=C4N(C3=O)C(=O)O

Isomeric SMILES

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C#N)N3C4=CC=CC=C4N(C3=O)C(=O)O

InChI

InChI=1S/C22H21N5O3/c1-13(2)7-10-19(20-24-15-9-8-14(12-23)11-16(15)25-20)26-17-5-3-4-6-18(17)27(21(26)28)22(29)30/h3-6,8-9,11,13,19H,7,10H2,1-2H3,(H,24,25)(H,29,30)