Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.CN(C)CCCC1(C#N)C2=CC=CC=C2OCC2=C1C=CC(Cl)=C2

InChIKey

InChIKey=QRECYWLSEPYDHG-UHFFFAOYSA-N

Formula

C22H23ClN2O5

Mass

430.89

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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

Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Trialkylamines Oxacyclic compounds Nitriles Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

Dibenzoxepine - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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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