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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(1-pyrrolidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-(3-pyrrolidinoprop-1-ynyl)cinchoninamide Formula: C28H28BrN5O MolecularWeight: 530.45882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCN5CCCC5)C(=C3)C(=O)NCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCN5CCCC5)C(=C3)C(=O)NCCN

InChI

InChI=1S/C28H28BrN5O/c1-33-18-24(22-16-20(29)7-9-27(22)33)26-17-23(28(35)31-11-10-30)21-15-19(6-8-25(21)32-26)5-4-14-34-12-2-3-13-34/h6-9,15-18H,2-3,10-14,30H2,1H3,(H,31,35)