Compound Identification
SMILES
OC(=O)C1=CC2=C(OCC3=CC=CC=C3\C2=C\CCN2CCC(O)(CC2)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=KPTDPQBSOBXCBQ-HGBQSQDTSA-N
Formula
C29H28ClNO4
Mass
490.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxepines
- Subclass Dibenzoxepines
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Class
Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Dibenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzoxepines
Alternative Parents
Phenylpiperidines Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Tertiary alcohols Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzoxepine - Phenylpiperidine - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary alcohol - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
External Descriptors
Not available