Compound Identification
SMILES
Cl.CC1=C(OCCCC2=C3C(NC4=C3CCNCC4)=CC=C2)C(F)=CC=C1
InChIKey
InChIKey=JETCAQXCLIWVKR-UHFFFAOYSA-N
Formula
C22H26ClFN2O
Mass
388.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroloazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroloazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloazepines
Alternative Parents
3-alkylindoles Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Aralkylamines Azepines Fluorobenzenes Aryl fluorides Pyrroles Heteroaromatic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Pyrroloazepine - Indole or derivatives - Indole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.
External Descriptors
Not available