Compound Identification
SMILES
COC1=C(C)C(=O)O[C@@]11C(=O)C(C)=C2CCCCN3CCC[C@@]123
InChIKey
InChIKey=YRGLLFADJRHUKM-ROUUACIJSA-N
Formula
C18H23NO4
Mass
317.385
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 N-alkylpyrrolidines Butenolides Vinylogous esters Enoate esters Trialkylamines Lactones Ketones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azepane - Alpha-acyloxy ketone - 2-furanone - N-alkylpyrrolidine - Dihydrofuran - Pyrrolidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxylic acid ester - Ketone - Lactone - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - 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