N-(3-azanyl-2-oxidanyl-propyl)-2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide

Systemtic Name: N-(3-azanyl-2-oxidanyl-propyl)-2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-(3-amino-2-hydroxy-propyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(3-amino-2-hydroxypropyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(3-amino-2-hydroxypropyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-(3-amino-2-hydroxy-propyl)-2-(5-bromo-1H-indol-3-yl)-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C29H30BrN5O2 MolecularWeight: 560.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC(CN)O)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC(CN)O)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C29H30BrN5O2/c30-20-7-9-26-23(14-20)25(18-32-26)28-15-24(29(37)33-17-21(36)16-31)22-13-19(6-8-27(22)34-28)5-4-12-35-10-2-1-3-11-35/h6-9,13-15,18,21,32,36H,1-3,10-12,16-17,31H2,(H,33,37)