Compound Identification
SMILES
CC(C)(C)C(=O)CN1CC2CN(CCCNC3=CC=C(C=C3)C#N)CC(C1)O2
InChIKey
InChIKey=KZOCHEDMAHPYCK-UHFFFAOYSA-N
Formula
C22H32N4O2
Mass
384.524
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Morpholines Alpha-amino ketones Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Morpholine - Oxazinane - Alpha-aminoketone - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Secondary amine - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available