Compound Identification
SMILES
COC1=CC=CC([C@H]2NC3=CC=CC=C3C3=C(O2)N=C(SCC2=CC=CC=C2F)N=N3)=C1OCC(O)=O
InChIKey
InChIKey=NHKBEXKOZDMUQN-DEOSSOPVSA-N
Formula
C26H21FN4O5S
Mass
520.54
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
Phenoxyacetic acid derivatives Anisoles Phenoxy compounds Methoxybenzenes 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes 1,2,4-triazines Aryl fluorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Benzoxazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Meta-oxazepine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - 1,2,4-triazine - Triazine - Monocyclic benzene moiety - Aryl fluoride - Heteroaromatic compound - Thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - 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