Compound Identification
SMILES
BrC1=CC2=C(OCCN(C2)C(=O)C2=CN=CN2)C=C1
InChIKey
InChIKey=ILUAYDAHSYUJFN-UHFFFAOYSA-N
Formula
C13H12BrN3O2
Mass
322.162
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
2-heteroaryl carboxamides Carbonylimidazoles Alkyl aryl ethers Benzenoids Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - Azole - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available