N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(4-methyl-1-piperazinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(4-methylpiperazino)prop-1-ynyl]cinchoninamide Formula: C29H31BrN6O MolecularWeight: 559.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN)C4=CN(C5=C4C=C(C=C5)Br)C

Isomeric SMILES

CN1CCN(CC1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN)C4=CN(C5=C4C=C(C=C5)Br)C

InChI

InChI=1S/C29H31BrN6O/c1-34-12-14-36(15-13-34)11-3-4-20-5-7-26-22(16-20)24(29(37)32-10-9-31)18-27(33-26)25-19-35(2)28-8-6-21(30)17-23(25)28/h5-8,16-19H,9-15,31H2,1-2H3,(H,32,37)