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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C29H30BrN5O MolecularWeight: 544.4854

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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#CCN5CCCCC5)C(=C3)C(=O)NCCN

Isomeric SMILES

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

InChI

InChI=1S/C29H30BrN5O/c1-34-19-25(23-17-21(30)8-10-28(23)34)27-18-24(29(36)32-12-11-31)22-16-20(7-9-26(22)33-27)6-5-15-35-13-3-2-4-14-35/h7-10,16-19H,2-4,11-15,31H2,1H3,(H,32,36)