Compound Identification
SMILES
CN1CCC(NO)=C2N=C(CCCCCl)C=C2C1=O
InChIKey
InChIKey=PYBMEDMGJJOEBA-UHFFFAOYSA-N
Formula
C13H18ClN3O2
Mass
283.76
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
Azepines Tertiary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds N-organohydroxylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrroloazepine - Azepine - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Carboxylic acid derivative - Azacycle - N-organohydroxylamine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Imine - Organic oxygen compound - Organooxygen compound - Alkyl chloride - Alkyl halide - Organic nitrogen compound - Carbonyl group - Aliphatic 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