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

Systemtic Name: N-[1-cyclopropyl-3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[1-cyclopropyl-3-(1H-imidazol-2-ylamino)-3-oxo-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-cyclopropyl-3-(1H-imidazol-2-ylamino)-3-oxopropyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-cyclopropyl-3-(1H-imidazol-2-ylamino)-3-oxopropyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[1-cyclopropyl-3-(1H-imidazol-2-ylamino)-3-keto-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C26H23N7O2 MolecularWeight: 465.50652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(CC(=O)NC2=NC=CN2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

C1CC1C(CC(=O)NC2=NC=CN2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C26H23N7O2/c34-23(33-26-27-9-10-28-26)13-20(15-5-6-15)32-25(35)17-7-8-19-21(12-17)31-24(30-19)22-11-16-3-1-2-4-18(16)14-29-22/h1-4,7-12,14-15,20H,5-6,13H2,(H,30,31)(H,32,35)(H2,27,28,33,34)