Compound Identification
SMILES
CNCCCOCC1=CC2=C(S1)C1=C(OC3=CC=CC=C23)C2=C(CCCC2)C=C1
InChIKey
InChIKey=YJQRZWRKGJYWGZ-UHFFFAOYSA-N
Formula
C25H27NO2S
Mass
405.56
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
Thienobenzoxepines Diarylethers Tetralins 2,3,5-trisubstituted thiophenes Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzoxepine - Thienobenzoxepine - Diaryl ether - Tetralin - 2,3,5-trisubstituted thiophene - Benzenoid - Thiophene - Heteroaromatic compound - Oxacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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