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

Systemtic Name: N-[3-(1H-imidazol-2-ylamino)-3-oxidanylidene-2-phenyl-propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-2-phenyl-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-2-phenylpropyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-(1H-imidazol-2-ylamino)-3-oxo-2-phenylpropyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-(1H-imidazol-2-ylamino)-3-keto-2-phenyl-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C29H23N7O2 MolecularWeight: 501.53862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CN6

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CN6

InChI

InChI=1S/C29H23N7O2/c37-27(33-17-22(18-6-2-1-3-7-18)28(38)36-29-30-12-13-31-29)20-10-11-23-24(15-20)35-26(34-23)25-14-19-8-4-5-9-21(19)16-32-25/h1-16,22H,17H2,(H,33,37)(H,34,35)(H2,30,31,36,38)