Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC2=C(OCCC(CN3CCC(CC3)NC3CCOCC3)=C2)C=C1
InChIKey
InChIKey=MKLMNSBQILJQRA-UHFFFAOYSA-N
Formula
C28H36N2O2
Mass
432.608
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
Toluenes Aminopiperidines Alkyl aryl ethers Oxanes Trialkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Alkyl aryl ether - 4-aminopiperidine - Toluene - Monocyclic benzene moiety - Oxane - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Oxacycle - Azacycle - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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