Compound Identification
SMILES
CC(C)CN(CC1=CC(Cl)=C2OCCCCC2=C1)C(=O)C(C)CN(C)C1=CC=CC2=C1N(C)C=C2
InChIKey
InChIKey=AFHBFFPLHAYXQG-UHFFFAOYSA-N
Formula
C29H38ClN3O2
Mass
496.09
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
Beta amino acids and derivatives N-alkylindoles Indoles Dialkylarylamines Alkyl aryl ethers Aryl chlorides N-methylpyrroles Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzoxepine - N-alkylindole - Indole - Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aryl chloride - Aryl halide - N-methylpyrrole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Carboxylic acid derivative - Ether - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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