N-[2-[2-(1H-imidazol-2-ylcarbamoyl)phenyl]ethyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[2-[2-(1H-imidazol-2-ylcarbamoyl)phenyl]ethyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-[2-(1H-imidazol-2-ylcarbamoyl)phenyl]ethyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[2-[2-[(1H-imidazol-2-ylamino)-oxomethyl]phenyl]ethyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[2-[2-(1H-imidazol-2-ylcarbamoyl)phenyl]ethyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-[2-(1H-imidazol-2-ylcarbamoyl)phenyl]ethyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C29H23N7O2 MolecularWeight: 501.53862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)NCCC5=CC=CC=C5C(=O)NC6=NC=CN6

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)NCCC5=CC=CC=C5C(=O)NC6=NC=CN6

InChI

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