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

Systemtic Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C26H27BrN4O MolecularWeight: 491.42278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CC(CCC1CN)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C26H27BrN4O/c27-18-9-10-23-20(11-18)22(15-29-23)25-12-21(19-3-1-2-4-24(19)31-25)26(32)30-14-17-7-5-16(13-28)6-8-17/h1-4,9-12,15-17,29H,5-8,13-14,28H2,(H,30,32)