Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Dibenzoxepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzoxepines

Alternative Parents

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

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