2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxylic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-piperidinoprop-1-ynyl)cinchoninic acid Formula: C26H21BrClN3O2 MolecularWeight: 522.82084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=CC3=C(C=C2Cl)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC3=C(C=C2Cl)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C26H21BrClN3O2/c27-17-6-7-23-19(12-17)21(15-29-23)24-13-20(26(32)33)18-11-16(22(28)14-25(18)30-24)5-4-10-31-8-2-1-3-9-31/h6-7,11-15,29H,1-3,8-10H2,(H,32,33)