Compound Identification
SMILES
C[C@@H]1C[C@@H](OC1=O)C1=CC=C2[C@@H]3[C@@H](C)[C@@H](O[C@H]3CCCN12)[C@@H]1OC(=O)C(C)=C1
InChIKey
InChIKey=JAIHEXISEDXFLY-FMQWAEOGSA-N
Formula
C22H27NO5
Mass
385.46
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
Azepines Substituted pyrroles Gamma butyrolactones Dicarboxylic acids and derivatives Butenolides Oxolanes Heteroaromatic compounds Enoate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - Azepine - 2-furanone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Substituted pyrrole - Heteroaromatic compound - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Oxolane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen 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