N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C28H27BrClN5O MolecularWeight: 564.90388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27BrClN5O/c29-19-6-7-25-21(14-19)23(17-33-25)26-15-22(28(36)32-9-8-31)20-13-18(24(30)16-27(20)34-26)5-4-12-35-10-2-1-3-11-35/h6-7,13-17,33H,1-3,8-12,31H2,(H,32,36)