Compound Identification
SMILES
COC1=C(C)C(=O)O[C@@]11C(=O)C(C)=C2CCCCN3C(=O)CC[C@@]123
InChIKey
InChIKey=HKTYWBZUTFHGKL-ROUUACIJSA-N
Formula
C18H21NO5
Mass
331.368
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepanes
Alternative Parents
Alpha-acyloxy ketones Pyrrolidine-2-ones Butenolides N-alkylpyrrolidines Vinylogous esters Tertiary carboxylic acid amides Enoate esters Ketones Lactones Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azepane - Alpha-acyloxy ketone - 2-furanone - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dihydrofuran - Pyrrolidine - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Lactone - Carboxylic acid derivative - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
External Descriptors
Not available