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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromanyl-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-6-bromo-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C26H20Br2N4O MolecularWeight: 564.2712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br)CN

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br)CN

InChI

InChI=1S/C26H20Br2N4O/c27-17-4-6-23-20(10-17)22(14-30-23)25-11-21(19-9-18(28)5-7-24(19)32-25)26(33)31-13-16-3-1-2-15(8-16)12-29/h1-11,14,30H,12-13,29H2,(H,31,33)