Compound Identification
SMILES
CC[C@H]1[C@H]2[C@@H](CCCn3c(ccc23)[C@@H]2C[C@H](C)C(=O)O2)O[C@@]1(C)OC(=O)CC
InChIKey
InChIKey=BXAKLIYUJNAYBP-JFZPHSRPSA-N
Formula
C22H31NO5
Mass
389.492
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
Ketals Azepines Substituted pyrroles Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - Ketal - Azepine - Substituted pyrrole - Gamma butyrolactone - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tetrahydrofuran - Pyrrole - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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