Compound Identification
SMILES
COC1=CC2=C(C=C1)C(=C1CCN(CC3(C(C)C3C)C(O)=O)CC1)C1=C(OC2)C=CC(F)=C1
InChIKey
InChIKey=KRVXYJDPLKZJML-UHFFFAOYSA-N
Formula
C27H30FNO4
Mass
451.538
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
Anisoles Alkyl aryl ethers Piperidines Cyclopropanecarboxylic acids Aryl fluorides Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzoxepine - Anisole - Phenol ether - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Aryl fluoride - Cyclopropanecarboxylic acid - Aryl halide - Benzenoid - Piperidine - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - 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 dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
External Descriptors
Not available