Compound Identification
SMILES
FC1=CN=C(NC(=O)NC2[C@H]3COC4=C(F)C=CC(F)=C4[C@@H]23)C=C1
InChIKey
InChIKey=DQGIUTUTGLYVTL-OVBLWQFYSA-N
Formula
C16H12F3N3O2
Mass
335.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
1-benzopyrans Alkyl aryl ethers Pyridines and derivatives Imidolactams Benzenoids Aryl fluorides Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Urea - Oxacycle - Azacycle - Ether - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available