Structure Information
Structure

Compound Identification

SMILES

COCO[C@]12CCN([C@@H](C1)C#N)[C@@H](CO2)C1=CC=CC=C1

InChIKey

InChIKey=PRUAWJGMGZZBEW-HRCADAONSA-N

Formula

C16H20N2O3

Mass

288.347

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxazepines

Subclass

1,4-oxazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-oxazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Para-oxazepine - Ketal - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary amine - Alpha-aminonitrile - Tertiary aliphatic amine - Acetal - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.

External Descriptors

Not available

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