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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1-methyl-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-3-indolyl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1-methyl-indol-3-yl)cinchoninamide Formula: C27H23BrN4O MolecularWeight: 499.40172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C27H23BrN4O/c1-32-16-23(21-12-19(28)10-11-26(21)32)25-13-22(20-4-2-3-5-24(20)31-25)27(33)30-15-18-8-6-17(14-29)7-9-18/h2-13,16H,14-15,29H2,1H3,(H,30,33)