2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-1H-indol-3-yl)-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C26H23BrN4O MolecularWeight: 487.39102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)N)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)N)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C26H23BrN4O/c27-18-7-9-23-20(14-18)22(16-29-23)25-15-21(26(28)32)19-13-17(6-8-24(19)30-25)5-4-12-31-10-2-1-3-11-31/h6-9,13-16,29H,1-3,10-12H2,(H2,28,32)