N-[5-(1H-imidazol-2-ylamino)-3-methyl-5-oxidanylidene-pentyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[5-(1H-imidazol-2-ylamino)-3-methyl-5-oxidanylidene-pentyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[5-(1H-imidazol-2-ylamino)-3-methyl-5-oxo-pentyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[5-(1H-imidazol-2-ylamino)-3-methyl-5-oxopentyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[5-(1H-imidazol-2-ylamino)-3-methyl-5-oxopentyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[5-(1H-imidazol-2-ylamino)-5-keto-3-methyl-pentyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C26H25N7O2 MolecularWeight: 467.5224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC4=CC=CC=C4C=N3)CC(=O)NC5=NC=CN5

Isomeric SMILES

CC(CCNC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC4=CC=CC=C4C=N3)CC(=O)NC5=NC=CN5

InChI

InChI=1S/C26H25N7O2/c1-16(12-23(34)33-26-28-10-11-29-26)8-9-27-25(35)18-6-7-20-21(14-18)32-24(31-20)22-13-17-4-2-3-5-19(17)15-30-22/h2-7,10-11,13-16H,8-9,12H2,1H3,(H,27,35)(H,31,32)(H2,28,29,33,34)