Compound Identification
SMILES
COC1=C(OC2CN3C4=C(CCNCC4)C4=C3C(C2)=CC=C4)C=CC(Br)=C1
InChIKey
InChIKey=CDXHXWDOJFSZIQ-UHFFFAOYSA-N
Formula
C22H23BrN2O2
Mass
427.342
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 Methoxybenzenes Anisoles Bromobenzenes Azepines Aralkylamines Alkyl aryl ethers Aryl bromides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azepine - Bromobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organooxygen compound - Organonitrogen compound - Organic oxygen 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