Compound Identification
SMILES
Cl.BrC1=CC=CC=C1OCCCC1=C2C3=C(CCNCC3)NC2=CC=C1
InChIKey
InChIKey=BVLKKLXMGHRYHO-UHFFFAOYSA-N
Formula
C21H24BrClN2O
Mass
435.79
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 Bromobenzenes Azepines Aralkylamines Alkyl aryl ethers Aryl bromides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Organooxygen compound - Organic nitrogen 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