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

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-N-(4-methoxyphenyl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C33H29BrN4O2 MolecularWeight: 593.51296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C#CCN4CCCCC4)C5=CNC6=C5C=C(C=C6)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C#CCN4CCCCC4)C5=CNC6=C5C=C(C=C6)Br

InChI

InChI=1S/C33H29BrN4O2/c1-40-25-11-9-24(10-12-25)36-33(39)28-20-32(29-21-35-30-14-8-23(34)19-27(29)30)37-31-13-7-22(18-26(28)31)6-5-17-38-15-3-2-4-16-38/h7-14,18-21,35H,2-4,15-17H2,1H3,(H,36,39)