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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-7-chloranyl-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-7-chloro-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-7-chloro-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-7-chloro-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-7-chloro-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C29H29BrClN5O MolecularWeight: 578.93046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C(=C4)Cl)C#CCN5CCCCC5)C(=C3)C(=O)NCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C(=C4)Cl)C#CCN5CCCCC5)C(=C3)C(=O)NCCN

InChI

InChI=1S/C29H29BrClN5O/c1-35-18-24(22-15-20(30)7-8-28(22)35)26-16-23(29(37)33-10-9-32)21-14-19(25(31)17-27(21)34-26)6-5-13-36-11-3-2-4-12-36/h7-8,14-18H,2-4,9-13,32H2,1H3,(H,33,37)