Compound Identification
SMILES
OC(=O)C1=CC2=C(OCC3=CC=CC=C3\C2=C/CN2CCN(CC2)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=XKLBNNRVWVIUAH-BHGWPJFGSA-N
Formula
C27H25FN2O3
Mass
444.506
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxepines
- Subclass Dibenzoxepines
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Class
Benzoxepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Dibenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzoxepines
Alternative Parents
Phenylpiperazines N-arylpiperazines Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Fluorobenzenes Aryl fluorides Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzoxepine - Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Halobenzene - Fluorobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Piperazine - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Tertiary amine - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen 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