Compound Identification
SMILES
NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=C(Br)N2
InChIKey
InChIKey=ATBAETXFFCOZOY-DAXSKMNVSA-N
Formula
C11H10BrN5O2
Mass
324.138
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
Alpha amino acids and derivatives 2-heteroaryl carboxamides Azepines Substituted pyrroles Aryl bromides Imidazolinones Heteroaromatic compounds Secondary carboxylic acid amides Guanidines N-acylimines Lactams Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Amines Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrroloazepine - 2-heteroaryl carboxamide - Azepine - Aryl bromide - Aryl halide - Imidazolinone - Substituted pyrrole - Heteroaromatic compound - 2-imidazoline - Pyrrole - Carboxamide group - Guanidine - N-acylimine - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen 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