Compound Identification
SMILES
O[C@H](CCN1CC[C@@H](CCC1=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=IOQBFIHFOIYXQZ-UYAOXDASSA-N
Formula
C21H25NO2
Mass
323.436
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
- Subclass Caprolactams
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Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Caprolactams
Intermediate Tree Nodes
Not available
Direct Parent
Caprolactams
Alternative Parents
Azepanes Benzene and substituted derivatives Tertiary carboxylic acid amides Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Caprolactam - Azepane - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Carboxylic acid derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
External Descriptors
Not available