Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC2=C(OCCC(=C2)C(=O)C2=C(C[N+](C)(C)C3CCCCC3)C=CC(N)=C2)C=C1
InChIKey
InChIKey=KJWOLEYLDKOAFI-UHFFFAOYSA-N
Formula
C33H39N2O2
Mass
495.686
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
Phenylmethylamines Aniline and substituted anilines Aryl ketones Benzoyl derivatives Benzylamines Toluenes Alkyl aryl ethers Aralkylamines Cyclohexylamines Primary aromatic amines Tetraalkylammonium salts Oxacyclic compounds Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Aniline or substituted anilines - Aralkylamine - Alkyl aryl ether - Toluene - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Oxacycle - Ether - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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