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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Oxazepines
- Subclass 1,4-oxazepines
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Class
Oxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazepines
Subclass
1,4-oxazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-oxazepines
Alternative Parents
Ketals Aralkylamines Piperidines Benzene and substituted derivatives Trialkylamines Alpha-aminonitriles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
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