Compound Identification
SMILES
CC[C@H]1C[C@H](CO)C[C@@]2([C@H]1NCCC1=C2NC2=CC=CC=C12)C(=O)OC
InChIKey
InChIKey=MGINSSIKKGMDGW-SCYQNTHKSA-N
Formula
C21H28N2O3
Mass
356.466
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 Azepines Aralkylamines Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Azepine - Aralkylamine - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Secondary amine - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Alcohol - 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