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

Systemtic Name: N-[1-(1H-imidazol-2-ylamino)-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-(1H-imidazol-2-ylamino)-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-(1H-imidazol-2-ylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-(1H-imidazol-2-ylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-(1H-imidazol-2-ylamino)-2-keto-1-(4-phenylbenzyl)ethyl]-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)CC(C(=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)CC(C(=O)NC3=NC=CN3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC7=CC=CC=C7C=N6

InChI

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