4-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]-N-(3-pyridylmethyl)butanamide CAS Name: 4-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1-imidazolyl]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[2-(6-amidino-1H-benzimidazol-2-yl)imidazol-1-yl]-N-(3-pyridylmethyl)butyramide Formula: C21H22N8O MolecularWeight: 402.45238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCCN2C=CN=C2C3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCCN2C=CN=C2C3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C21H22N8O/c22-19(23)15-5-6-16-17(11-15)28-20(27-16)21-25-8-10-29(21)9-2-4-18(30)26-13-14-3-1-7-24-12-14/h1,3,5-8,10-12H,2,4,9,13H2,(H3,22,23)(H,26,30)(H,27,28)