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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(1-pyrrolidinyl)prop-1-ynyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-pyrrolidinoprop-1-ynyl)cinchoninic acid Formula: C25H20BrN3O2 MolecularWeight: 474.3492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CCN(C1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C25H20BrN3O2/c26-17-6-8-22-19(13-17)21(15-27-22)24-14-20(25(30)31)18-12-16(5-7-23(18)28-24)4-3-11-29-9-1-2-10-29/h5-8,12-15,27H,1-2,9-11H2,(H,30,31)