Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroloazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloazepines

Alternative Parents

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

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