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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-methyl-quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-methyl-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-methylquinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6-methyl-cinchoninamide Formula: C27H23BrN4O MolecularWeight: 499.40172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=CC(=C3)CN)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=CC(=C3)CN)C4=CNC5=C4C=C(C=C5)Br

InChI

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