Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=CC2=C(OCCC(=C2)C(=O)C2=C(C[N+](C)(C)C3CCCCC3)C=CC(N)=C2)C=C1

InChIKey

InChIKey=KJWOLEYLDKOAFI-UHFFFAOYSA-N

Formula

C33H39N2O2

Mass

495.686

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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 - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Aniline or substituted anilines - Aralkylamine - Alkyl aryl ether - Toluene - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Oxacycle - Ether - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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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