2-(5-chloranyl-1H-indol-3-yl)-N-(4-oxidanylcyclohexyl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide

Systemtic Name: 2-(5-chloranyl-1H-indol-3-yl)-N-(4-oxidanylcyclohexyl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: 2-(5-chloro-1H-indol-3-yl)-N-(4-hydroxycyclohexyl)-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: 2-(5-chloro-1H-indol-3-yl)-N-(4-hydroxycyclohexyl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-chloro-1H-indol-3-yl)-N-(4-hydroxycyclohexyl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: 2-(5-chloro-1H-indol-3-yl)-N-(4-hydroxycyclohexyl)-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C32H33ClN4O2 MolecularWeight: 541.08302

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)NC4CCC(CC4)O)C5=CNC6=C5C=C(C=C6)Cl

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NC4CCC(CC4)O)C5=CNC6=C5C=C(C=C6)Cl

InChI

InChI=1S/C32H33ClN4O2/c33-22-7-13-29-26(18-22)28(20-34-29)31-19-27(32(39)35-23-8-10-24(38)11-9-23)25-17-21(6-12-30(25)36-31)5-4-16-37-14-2-1-3-15-37/h6-7,12-13,17-20,23-24,34,38H,1-3,8-11,14-16H2,(H,35,39)