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

Systemtic Name: N-[4-(1H-imidazol-2-ylamino)-4-oxidanylidene-1-(4-phenylphenyl)butan-2-yl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-1-[(4-phenylphenyl)methyl]propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[4-(1H-imidazol-2-ylamino)-4-oxo-1-(4-phenylphenyl)butan-2-yl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[4-(1H-imidazol-2-ylamino)-4-oxo-1-(4-phenylphenyl)butan-2-yl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-(1H-imidazol-2-ylamino)-3-keto-1-(4-phenylbenzyl)propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C36H29N7O2 MolecularWeight: 591.66116

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H29N7O2/c44-33(43-36-37-16-17-38-36)21-29(18-23-10-12-25(13-11-23)24-6-2-1-3-7-24)40-35(45)27-14-15-30-31(20-27)42-34(41-30)32-19-26-8-4-5-9-28(26)22-39-32/h1-17,19-20,22,29H,18,21H2,(H,40,45)(H,41,42)(H2,37,38,43,44)