Compound Identification
SMILES
ClC1=CC(Cl)=C2C3=C(CCNCC3)N(CCOC3=CC=CC4=C3C=CN4)C2=C1
InChIKey
InChIKey=BSQDRJPQZIJFRG-UHFFFAOYSA-N
Formula
C22H21Cl2N3O
Mass
414.33
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
N-alkylindoles 3-alkylindoles Phenol ethers Azepines Aralkylamines Alkyl aryl ethers Substituted pyrroles Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Substituted pyrrole - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrrole - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen 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