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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-N-(2-methylpropyl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-1H-indol-3-yl)-N-isobutyl-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-1H-indol-3-yl)-N-(2-methylpropyl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-N-(2-methylpropyl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-1H-indol-3-yl)-N-isobutyl-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C30H31BrN4O MolecularWeight: 543.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=NC2=C1C=C(C=C2)C#CCN3CCCCC3)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=NC2=C1C=C(C=C2)C#CCN3CCCCC3)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C30H31BrN4O/c1-20(2)18-33-30(36)25-17-29(26-19-32-27-11-9-22(31)16-24(26)27)34-28-10-8-21(15-23(25)28)7-6-14-35-12-4-3-5-13-35/h8-11,15-17,19-20,32H,3-5,12-14,18H2,1-2H3,(H,33,36)