Compound Identification
SMILES
CCCSC1=NC2=C(N=N1)C1=CC=CC=C1N(C(O2)C1=CC=C(O1)C1=CC(=CC=C1)C(F)(F)F)C(=O)CC
InChIKey
InChIKey=PWRWTZHRBAHPLG-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 Furans Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carbonyl compounds Alkyl fluorides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Trifluoromethylbenzene - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Monocyclic benzene moiety - Triazine - 1,2,4-triazine - Benzenoid - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Thioether - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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