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

Systemtic Name: N-[5-(1H-imidazol-2-ylamino)-2-methyl-5-oxidanylidene-pentyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[5-(1H-imidazol-2-ylamino)-2-methyl-5-oxo-pentyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[5-(1H-imidazol-2-ylamino)-2-methyl-5-oxopentyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[5-(1H-imidazol-2-ylamino)-2-methyl-5-oxopentyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[5-(1H-imidazol-2-ylamino)-5-keto-2-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(CCC(=O)NC1=NC=CN1)CNC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC(CCC(=O)NC1=NC=CN1)CNC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4

InChI

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