Compound Identification
SMILES
CC(C)(C)C1=CC(Cl)=C2OCC3=C(C=C4C=C5OCOC5=CC4=N3)C(=O)C2=C1
InChIKey
InChIKey=NCFJGYFSEKOHGT-UHFFFAOYSA-N
Formula
C22H18ClNO4
Mass
395.84
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
Quinolines and derivatives Benzodioxoles Aryl ketones Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Benzenoids Heteroaromatic compounds Acetals Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Quinoline - Benzodioxole - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ketone - Acetal - Ether - Oxacycle - Azacycle - Organohalogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - 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