Compound Identification
SMILES
CC(=O)N1[C@H](OC2=C(N=NC(SCC=C)=N2)C2=CC=CC=C12)C1=CC=C(O1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=YXZDHKTZUXCONL-XMMPIXPASA-N
Formula
C25H19BrN4O3S
Mass
535.42
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
1,3-oxazepines Alkylarylthioethers Bromobenzenes 1,2,4-triazines Aryl bromides Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Furans Allyl sulfur compounds Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Furan - Acetamide - Tertiary carboxylic acid amide - Allyl sulfur compound - Carboxamide group - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Oxacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organosulfur 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