Compound Identification
SMILES
CC(=O)[C@]1(CNCC[C@H]1[N+]1(CC(C)(C)C)C2=C(C=C(Cl)C=C2)C(OCC1=O)C1=CC=CC2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=DNJRYLULVKYISB-KMBBXXALSA-O
Formula
C32H36ClN2O5
Mass
564.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Naphthalenes Piperidinecarboxylic acids Beta-keto acids and derivatives Aryl chlorides Beta-amino ketones Beta-hydroxy ketones Amino acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Dialkyl ethers Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Naphthalene - Piperidinecarboxylic acid - Beta-keto acid - Aryl chloride - Aryl halide - Beta-aminoketone - Benzenoid - Beta-hydroxy ketone - Keto acid - Piperidine - Amino acid or derivatives - Amino acid - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available