Compound Identification
SMILES
FC1=C2OCC3C(NC(=O)NC4=NC=C(OC5=CC(Cl)=CC=C5)C=C4)C3C2=C(F)C=C1
InChIKey
InChIKey=QRSLEIWZUJLMTI-UHFFFAOYSA-N
Formula
C22H16ClF2N3O3
Mass
443.83
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
Diarylethers 1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organonitrogen compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Diaryl ether - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyridine - Benzenoid - Heteroaromatic compound - Urea - Azacycle - Ether - Oxacycle - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - 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