Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(=O)CCN1CCC(CC1)=C1C2=C(OCC3=C1N=CC=C3)C=C(F)C=C2

InChIKey

InChIKey=PJXVTYYMJSMGSF-UHFFFAOYSA-N

Formula

C23H26ClFN2O3

Mass

432.92

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxepine - Alkyl aryl ether - Piperidine - Pyridine - Benzenoid - Aryl halide - Aryl fluoride - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).

External Descriptors

Not available

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