Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(Cl)=C2C3=C(CCNCC3)N(CCOC3=CC=CC4=C3C=CN4)C2=C1

InChIKey

InChIKey=BSQDRJPQZIJFRG-UHFFFAOYSA-N

Formula

C22H21Cl2N3O

Mass

414.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroloazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-alkylindole - Pyrroloazepine - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Substituted pyrrole - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrrole - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom.

External Descriptors

Not available

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