EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41172 - {2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone

ChEBI IDCHEBI:41172
ChEBI Name{2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC32H35N3O3S
Net Charge0
Average Mass541.717
Monoisotopic Mass541.23991
SMILES[H]c1nc(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([H])c([H])c1C(=O)c1c(-c2c([H])c([H])c(OC([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c([H])c2[H])sc2c([H])c([H])c([H])c([H])c12
InChIInChI=1S/C32H35N3O3S/c36-31(25-11-14-29(33-23-25)38-22-20-35-17-5-6-18-35)30-27-7-1-2-8-28(27)39-32(30)24-9-12-26(13-10-24)37-21-19-34-15-3-4-16-34/h1-2,7-14,23H,3-6,15-22H2
InChIKeyZWXFJUPNUWRODU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
{2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone (CHEBI:41172) is a N-alkylpyrrolidine (CHEBI:46775)
{2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone (CHEBI:41172) is a 1-benzothiophenes (CHEBI:38836)
Synonyms  Source
{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-3-YL}-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-METHANONEPDBeChem
{2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanonePDBeChem
Manual XrefsDatabases
BT1PDBeChem