Compound Identification
SMILES
FC1=C2OC[C@@H]3C(NC(=O)NC4=NC=C(Cl)C=C4)[C@@H]3C2=C(Cl)C=C1
InChIKey
InChIKey=MBMRVPQCDDGXNS-OVBLWQFYSA-N
Formula
C16H12Cl2FN3O2
Mass
368.19
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 Aryl chlorides Aryl fluorides Imidolactams Benzenoids Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Urea - Ether - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen 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