N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-iodanyl-quinoline-4-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-iodanyl-quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-iodo-quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-iodo-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-iodoquinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-iodo-cinchoninamide Formula: C26H19BrClIN4O MolecularWeight: 645.71673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)C2=CC(=NC3=CC(=C(C=C23)I)Cl)C4=CNC5=C4C=C(C=C5)Br)CN

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)C2=CC(=NC3=CC(=C(C=C23)I)Cl)C4=CNC5=C4C=C(C=C5)Br)CN

InChI

InChI=1S/C26H19BrClIN4O/c27-16-4-5-23-17(7-16)20(13-31-23)24-9-19(18-8-22(29)21(28)10-25(18)33-24)26(34)32-12-15-3-1-2-14(6-15)11-30/h1-10,13,31H,11-12,30H2,(H,32,34)