Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C([O-])=O.COC1=CC2=C(OC3=CC=CC=C3C=C2N2CC[NH+](C)CC2)C=C1

InChIKey

InChIKey=SNNFBGDFQRAMJP-BTJKTKAUSA-N

Formula

C24H26N2O6

Mass

438.48

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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

Diarylethers Anisoles Alkyl aryl ethers N-methylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives Quaternary ammonium salts Trialkylamines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Enamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations

Molecular Framework

Not available

Substituents

Dibenzoxepine - Diaryl ether - Anisole - Phenol ether - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Fatty acyl - Benzenoid - Fatty acid - Quaternary ammonium salt - Tertiary amine - Carboxylic acid salt - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Enamine - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organic cation - 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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