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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C26H21BrN4O MolecularWeight: 485.37514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C26H21BrN4O/c27-18-8-9-23-20(11-18)22(15-29-23)25-12-21(19-6-1-2-7-24(19)31-25)26(32)30-14-17-5-3-4-16(10-17)13-28/h1-12,15,29H,13-14,28H2,(H,30,32)