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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-(hydroxymethyl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(hydroxymethyl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(hydroxymethyl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(hydroxymethyl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6-methylol-cinchoninamide Formula: C27H23BrN4O2 MolecularWeight: 515.40112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)CO)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)CO)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C27H23BrN4O2/c28-19-6-8-24-21(10-19)23(14-30-24)26-11-22(20-9-18(15-33)5-7-25(20)32-26)27(34)31-13-17-3-1-16(12-29)2-4-17/h1-11,14,30,33H,12-13,15,29H2,(H,31,34)