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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C28H28BrN5O MolecularWeight: 530.45882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28BrN5O/c29-20-7-9-25-22(16-20)24(18-32-25)27-17-23(28(35)31-11-10-30)21-15-19(6-8-26(21)33-27)5-4-14-34-12-2-1-3-13-34/h6-9,15-18,32H,1-3,10-14,30H2,(H,31,35)