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

Systemtic Name: N-[3-(1H-imidazol-2-ylamino)-3-oxidanylidene-1-(4-phenylphenyl)propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-1-(4-phenylphenyl)propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-1-(4-phenylphenyl)propyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-1-(4-phenylphenyl)propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-(1H-imidazol-2-ylamino)-3-keto-1-(4-phenylphenyl)propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C35H27N7O2 MolecularWeight: 577.63458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)NC3=NC=CN3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC7=CC=CC=C7C=N6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)NC3=NC=CN3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC7=CC=CC=C7C=N6

InChI

InChI=1S/C35H27N7O2/c43-32(42-35-36-16-17-37-35)20-29(24-12-10-23(11-13-24)22-6-2-1-3-7-22)41-34(44)26-14-15-28-30(19-26)40-33(39-28)31-18-25-8-4-5-9-27(25)21-38-31/h1-19,21,29H,20H2,(H,39,40)(H,41,44)(H2,36,37,42,43)