Compound Identification
SMILES
CC1C(C2=CC=CC=C2)C(C#N)(C#N)C2(CC1(O)NC2=O)C#N
InChIKey
InChIKey=ZGJJMIGIWNLDBB-UHFFFAOYSA-N
Formula
C17H14N4O2
Mass
306.325
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 Pyrrolidine-2-ones Benzene and substituted derivatives Secondary carboxylic acid amides Cyclic alcohols and derivatives Nitriles Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Caprolactam - Azepane - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Cyclic alcohol - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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