N-butyl-2-isoquinolin-3-yl-1H-benzimidazole-4-carboxamide

Systemtic Name: N-butyl-2-isoquinolin-3-yl-1H-benzimidazole-4-carboxamide Openeye Name: N-butyl-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide CAS Name: N-butyl-2-(3-isoquinolinyl)-1H-benzimidazole-4-carboxamide IUPAC Name: N-butyl-2-isoquinolin-3-yl-1H-benzimidazole-4-carboxamide Traditional Name: N-butyl-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CCCCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C21H20N4O/c1-2-3-11-22-21(26)16-9-6-10-17-19(16)25-20(24-17)18-12-14-7-4-5-8-15(14)13-23-18/h4-10,12-13H,2-3,11H2,1H3,(H,22,26)(H,24,25)