Compound Identification
SMILES
CCCCCN=C1CCCOC2=C1C=CC(=C2)C1=CC=C(F)C=C1
InChIKey
InChIKey=JHRBPYJPEZQHPH-UHFFFAOYSA-N
Formula
C21H24FNO
Mass
325.427
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
Fluorobenzenes Alkyl aryl ethers Aryl fluorides Secondary ketimines Azomethines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azomethine - Secondary ketimine - Ketimine - Oxacycle - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organonitrogen compound - Organohalogen compound - Organofluoride - 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