Compound Identification
SMILES
CCCCCSC1=NC2=C(N=N1)C1=C(NC(O2)C2=CC(OC)=CC=C2)C=CC(Br)=C1
InChIKey
InChIKey=LLBORYGCGZBHRV-UHFFFAOYSA-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
Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkylarylthioethers Alkyl aryl ethers 1,3-oxazepines Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Meta-oxazepine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Oxacycle - Ether - Amine - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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