Structure Information
Structure

Compound Identification

SMILES

CCCCSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@H](O2)C1=CC=CN1C)C(C)=O

InChIKey

InChIKey=MXJTZDOFZDJTPV-HXUWFJFHSA-N

Formula

C21H23N5O2S

Mass

409.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazepine - Aryl thioether - Meta-oxazepine - Alkylarylthioether - N-methylpyrrole - Substituted pyrrole - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Pyrrole - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).

External Descriptors

Not available

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