Compound Identification
SMILES
CCOC(=O)CCN1CCC(CC1)=C1C2=C(COC3=C1C=CC(OC)=C3)N=CC=C2
InChIKey
InChIKey=JGTPOEVAYVHAHQ-UHFFFAOYSA-N
Formula
C24H28N2O4
Mass
408.498
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
Anisoles Alkyl aryl ethers Pyridines and derivatives Piperidines Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Azacycle - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen 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