Compound Identification
SMILES
OC(=O)C(F)(F)F.CCS(=O)(=O)N1CCC[C@@]2(CN(C[C@@H]2C1)c1ccccn1)C(=O)N(C)C
InChIKey
InChIKey=WEBFOOGOUIJNAW-CFILVAQYSA-N
Formula
C20H29F3N4O5S
Mass
494.53
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
Pyrrolidinecarboxamides Dialkylarylamines Aminopyridines and derivatives Azepanes Organosulfonamides Organic sulfonamides Imidolactams Tertiary carboxylic acid amides Sulfonyls Alpha-halocarboxylic acids Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Pyrroloazepine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Dialkylarylamine - Aminopyridine - Azepane - Pyridine - Organic sulfonic acid amide - Imidolactam - Organosulfonic acid amide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic oxide - 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