Compound Identification
SMILES
CCOC(=O)C1=C(N=C(Br)N1CC#CC)C#N
InChIKey
InChIKey=HKFKJOKMFLBULX-UHFFFAOYSA-N
Formula
C11H10BrN3O2
Mass
296.124
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Imidazoles
-
Level 5
Substituted imidazoles
- Level 6 Tetrasubstituted imidazoles
-
Level 5
Substituted imidazoles
-
Subclass
Imidazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles - Tetrasubstituted imidazoles
Direct Parent
1,2,4,5-tetrasubstituted imidazoles
Alternative Parents
Carbonylimidazoles N-substituted imidazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,4,5-tetrasubstituted imidazole - Imidazole-4-carbonyl group - Aryl bromide - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5.
External Descriptors
Not available