Compound Identification
SMILES
[Cl-].O[C@@]1(C(C[NH+]2CCCCC2)CCOC2=C1C=CC(Cl)=C2)C1=CC=CC=C1
InChIKey
InChIKey=YKNKWWBOSAFDPV-HDNPKDEKSA-N
Formula
C22H27Cl2NO2
Mass
408.36
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
Aralkylamines Alkyl aryl ethers Piperidines Benzene and substituted derivatives Aryl chlorides Tertiary alcohols Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Ether - Azacycle - Organic salt - Alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic zwitterion - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen 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