Compound Identification
SMILES
Cl.Cl.CN1CCN(CC2CCOC3=C(C=C(C)C=C3)C2=O)CC1
InChIKey
InChIKey=ZTFKKHILHFCEGR-UHFFFAOYSA-N
Formula
C17H26Cl2N2O2
Mass
361.31
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
Aryl alkyl ketones N-methylpiperazines Alkyl aryl ethers Benzenoids Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrochloride - 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