Compound Identification
SMILES
CCCCCCSC1=NC2=C(N=N1)C1=C(N[C@H](O2)C2=CC=C(O)C=C2)C=CC(Br)=C1
InChIKey
InChIKey=ZAXAOJMZQTVEAP-HXUWFJFHSA-N
Formula
C22H23BrN4O2S
Mass
487.42
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
Secondary alkylarylamines Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids 1,3-oxazepines Benzene and substituted derivatives Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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