Compound Identification
SMILES
CCOC(O)=C(C#N)C(=O)NC1=NCCCCC1
InChIKey
InChIKey=KESUPWWIKMAZAE-UHFFFAOYSA-N
Formula
C12H17N3O3
Mass
251.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepines
Alternative Parents
Vinylogous esters Vinylogous acids Ketene acetals Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Azepine - Vinylogous acid - Vinylogous ester - Ketene acetal or derivatives - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available