EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113536 - 1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine

ChEBI IDCHEBI:113536
ChEBI Name1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC19H19ClN2O
Net Charge0
Average Mass326.827
Monoisotopic Mass326.11859
SMILESCN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1
InChIInChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
InChIKeyOTKUTGIVEREJLL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine (CHEBI:113536) is a N-alkylpiperazine (CHEBI:46845)
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine (CHEBI:113536) is a organic heterotricyclic compound (CHEBI:26979)
Manual XrefsDatabases
LSM-24951LINCS