Compound Identification
SMILES
C[C@@H](NC(=O)CN1C2=CC=CC=C2OCCC1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XQOAZKHVCOCXIW-CYBMUJFWSA-N
Formula
C19H19BrN2O3
Mass
403.276
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
Alpha amino acids and derivatives Bromobenzenes Alkyl aryl ethers Aryl bromides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Alpha-amino acid or derivatives - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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