N-(4-azanylbutyl)-2-(5-bromanyl-1H-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide

Systemtic Name: N-(4-azanylbutyl)-2-(5-bromanyl-1H-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide Openeye Name: N-(4-aminobutyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-quinoline-4-carboxamide CAS Name: N-(4-aminobutyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-4-quinolinecarboxamide IUPAC Name: N-(4-aminobutyl)-2-(5-bromo-1H-indol-3-yl)-6-iodoquinoline-4-carboxamide Traditional Name: N-(4-aminobutyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-cinchoninamide Formula: C22H20BrIN4O MolecularWeight: 563.22887

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CN2)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCCCCN

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CN2)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCCCCN

InChI

InChI=1S/C22H20BrIN4O/c23-13-3-5-19-15(9-13)18(12-27-19)21-11-17(22(29)26-8-2-1-7-25)16-10-14(24)4-6-20(16)28-21/h3-6,9-12,27H,1-2,7-8,25H2,(H,26,29)