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

Systemtic Name: N-(5-azanylpentyl)-2-(5-bromanyl-1H-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide Openeye Name: N-(5-aminopentyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-quinoline-4-carboxamide CAS Name: N-(5-aminopentyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-4-quinolinecarboxamide IUPAC Name: N-(5-aminopentyl)-2-(5-bromo-1H-indol-3-yl)-6-iodoquinoline-4-carboxamide Traditional Name: N-(5-aminopentyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-cinchoninamide Formula: C23H22BrIN4O MolecularWeight: 577.25545

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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)NCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrIN4O/c24-14-4-6-20-16(10-14)19(13-28-20)22-12-18(23(30)27-9-3-1-2-8-26)17-11-15(25)5-7-21(17)29-22/h4-7,10-13,28H,1-3,8-9,26H2,(H,27,30)