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

Systemtic Name: N-(3-azanylpropyl)-2-(5-bromanyl-1H-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide Openeye Name: N-(3-aminopropyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-quinoline-4-carboxamide CAS Name: N-(3-aminopropyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-4-quinolinecarboxamide IUPAC Name: N-(3-aminopropyl)-2-(5-bromo-1H-indol-3-yl)-6-iodoquinoline-4-carboxamide Traditional Name: N-(3-aminopropyl)-2-(5-bromo-1H-indol-3-yl)-6-iodo-cinchoninamide Formula: C21H18BrIN4O MolecularWeight: 549.20229

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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)NCCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrIN4O/c22-12-2-4-18-14(8-12)17(11-26-18)20-10-16(21(28)25-7-1-6-24)15-9-13(23)3-5-19(15)27-20/h2-5,8-11,26H,1,6-7,24H2,(H,25,28)