2-[4-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxy-propyl]-3-methyl-piperazin-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxypropyl]-3-methyl-1-piperazinyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxy-propyl]-3-methyl-piperazino]-N-(5-quinolyl)acetamide Formula: C25H29FN4O3 MolecularWeight: 452.521163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(COC2=CC=CC=C2F)O)CC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1CN(CCN1CC(COC2=CC=CC=C2F)O)CC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C25H29FN4O3/c1-18-14-29(16-25(32)28-23-9-4-8-22-20(23)6-5-11-27-22)12-13-30(18)15-19(31)17-33-24-10-3-2-7-21(24)26/h2-11,18-19,31H,12-17H2,1H3,(H,28,32)