Structure Information
Structure

Compound Identification

SMILES

CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12.COC1=CC=CC([C@H](O)C2CCN(CCC3=CC=C(F)C=C3)CC2)=C1OC

InChIKey

InChIKey=BXEFJGIPOCNLNW-ZMBIFBSDSA-N

Formula

C40H50FN3O3

Mass

639.856

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzazepines

Subclass

Dibenzazepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzazepines

Alternative Parents

Alkyldiarylamines Dimethoxybenzenes Phenethylamines Phenoxy compounds Anisoles Alkyl aryl ethers Fluorobenzenes Azepines Aralkylamines Aryl fluorides Piperidines Secondary alcohols Trialkylamines Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Not available

Substituents

Dibenzazepine - Alkyldiarylamine - O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Azepine - Fluorobenzene - Halobenzene - Aralkylamine - Benzenoid - Piperidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Organic oxygen compound - Aromatic alcohol - Organofluoride - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.

External Descriptors

Not available

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