2-(5-bromanyl-1H-indol-3-yl)-6-[3-(cyclohexylamino)prop-1-ynyl]quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-6-[3-(cyclohexylamino)prop-1-ynyl]quinoline-4-carboxylic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(cyclohexylamino)prop-1-ynyl]quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(cyclohexylamino)prop-1-ynyl]-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(cyclohexylamino)prop-1-ynyl]quinoline-4-carboxylic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-6-[3-(cyclohexylamino)prop-1-ynyl]cinchoninic acid Formula: C27H24BrN3O2 MolecularWeight: 502.40236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CCC(CC1)NCC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C27H24BrN3O2/c28-18-9-11-24-21(14-18)23(16-30-24)26-15-22(27(32)33)20-13-17(8-10-25(20)31-26)5-4-12-29-19-6-2-1-3-7-19/h8-11,13-16,19,29-30H,1-3,6-7,12H2,(H,32,33)