2-(2-chloranyl-6-fluoranyl-phenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]ethanamide

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]ethanamide Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]acetamide CAS Name: 2-(2-chloro-6-fluorophenyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]acetamide IUPAC Name: 2-(2-chloro-6-fluorophenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]acetamide Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]acetamide Formula: C26H24ClFN6O MolecularWeight: 490.959763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CC3=C(C=CC=C3Cl)F)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CC3=C(C=CC=C3Cl)F)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H24ClFN6O/c1-17-14-24(33-10-12-34(13-11-33)26-29-8-3-9-30-26)32-23-7-6-18(15-19(17)23)31-25(35)16-20-21(27)4-2-5-22(20)28/h2-9,14-15H,10-13,16H2,1H3,(H,31,35)