N-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide CAS Name: N-[4-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-1H-benzimidazol-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Formula: C26H19N7O2 MolecularWeight: 461.47476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H19N7O2/c34-24(28-14-22-29-18-9-3-4-10-19(18)30-22)17-8-5-11-20-23(17)32-26(31-20)33-25(35)21-12-15-6-1-2-7-16(15)13-27-21/h1-13H,14H2,(H,28,34)(H,29,30)(H2,31,32,33,35)