N-(1H-benzimidazol-2-ylcarbamoyl)-2-isoquinolin-3-yl-N-phenethyl-1H-benzimidazole-4-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylcarbamoyl)-2-isoquinolin-3-yl-N-phenethyl-1H-benzimidazole-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylcarbamoyl)-2-(3-isoquinolyl)-N-phenethyl-1H-benzimidazole-4-carboxamide CAS Name: N-[(1H-benzimidazol-2-ylamino)-oxomethyl]-2-(3-isoquinolinyl)-N-phenethyl-1H-benzimidazole-4-carboxamide IUPAC Name: N-(1H-benzimidazol-2-ylcarbamoyl)-2-isoquinolin-3-yl-N-phenethyl-1H-benzimidazole-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylcarbamoyl)-2-(3-isoquinolyl)-N-phenethyl-1H-benzimidazole-4-carboxamide Formula: C33H25N7O2 MolecularWeight: 551.5973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC7=CC=CC=C7N6

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC7=CC=CC=C7N6

InChI

InChI=1S/C33H25N7O2/c41-31(24-13-8-16-27-29(24)38-30(35-27)28-19-22-11-4-5-12-23(22)20-34-28)40(18-17-21-9-2-1-3-10-21)33(42)39-32-36-25-14-6-7-15-26(25)37-32/h1-16,19-20H,17-18H2,(H,35,38)(H2,36,37,39,42)