Compound Identification
SMILES
CCCCSC1=NC2=C(N=N1)C1=CC=CC=C1N(C(O2)C1=CC=C(O1)C1=CC(=CC=C1)C(F)(F)F)C(C)=O
InChIKey
InChIKey=RMNJCUCZMKPSHM-UHFFFAOYSA-N
Formula
C27H23F3N4O3S
Mass
540.56
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
Trifluoromethylbenzenes 1,3-oxazepines Alkylarylthioethers 1,2,4-triazines Tertiary carboxylic acid amides Acetamides Furans Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Trifluoromethylbenzene - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Alkyl halide - 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