N-[4-(1H-imidazol-2-ylamino)-2-methyl-4-oxidanylidene-butyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[4-(1H-imidazol-2-ylamino)-2-methyl-4-oxidanylidene-butyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[4-(1H-imidazol-2-ylamino)-2-methyl-4-oxo-butyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[4-(1H-imidazol-2-ylamino)-2-methyl-4-oxobutyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[4-(1H-imidazol-2-ylamino)-2-methyl-4-oxobutyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[4-(1H-imidazol-2-ylamino)-4-keto-2-methyl-butyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C25H23N7O2 MolecularWeight: 453.49582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N7O2/c1-15(10-22(33)32-25-26-8-9-27-25)13-29-24(34)17-6-7-19-20(12-17)31-23(30-19)21-11-16-4-2-3-5-18(16)14-28-21/h2-9,11-12,14-15H,10,13H2,1H3,(H,29,34)(H,30,31)(H2,26,27,32,33)