N-[1-(1H-imidazol-2-ylamino)-1-oxidanylidene-5-phenyl-pentan-3-yl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-(1H-imidazol-2-ylamino)-1-oxidanylidene-5-phenyl-pentan-3-yl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-1-phenethyl-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-(1H-imidazol-2-ylamino)-1-oxo-5-phenylpentan-3-yl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-(1H-imidazol-2-ylamino)-1-oxo-5-phenylpentan-3-yl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-(1H-imidazol-2-ylamino)-3-keto-1-phenethyl-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C31H27N7O2 MolecularWeight: 529.59178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC(=O)NC2=NC=CN2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

C1=CC=C(C=C1)CCC(CC(=O)NC2=NC=CN2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C31H27N7O2/c39-28(38-31-32-14-15-33-31)18-24(12-10-20-6-2-1-3-7-20)35-30(40)22-11-13-25-26(17-22)37-29(36-25)27-16-21-8-4-5-9-23(21)19-34-27/h1-9,11,13-17,19,24H,10,12,18H2,(H,35,40)(H,36,37)(H2,32,33,38,39)