N-(1H-benzimidazol-2-ylmethyl)-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C26H18BrN5O MolecularWeight: 496.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H18BrN5O/c27-15-9-10-20-17(11-15)19(13-28-20)24-12-18(16-5-1-2-6-21(16)30-24)26(33)29-14-25-31-22-7-3-4-8-23(22)32-25/h1-13,28H,14H2,(H,29,33)(H,31,32)