2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperazin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperazin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-piperazin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperazinyl)prop-1-ynyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-piperazin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-piperazinoprop-1-ynyl)cinchoninic acid Formula: C25H21BrN4O2 MolecularWeight: 489.36384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C25H21BrN4O2/c26-17-4-6-22-19(13-17)21(15-28-22)24-14-20(25(31)32)18-12-16(3-5-23(18)29-24)2-1-9-30-10-7-27-8-11-30/h3-6,12-15,27-28H,7-11H2,(H,31,32)