Compound Identification
SMILES
CCC(=O)CC1=NN(CN1C1=CC=C(F)C=C1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=IGKPUAMNHKEZFQ-UHFFFAOYSA-N
Formula
C19H17FN4O
Mass
336.37
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
Aniline and substituted anilines Fluorobenzenes Imidolactams Aryl fluorides Triazolines Ketones Amidrazones Nitriles Hydrazones Azacyclic compounds Amidines Organofluorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Triazoline - Carboxylic acid amidrazone - Ketone - Amidine - Azacycle - Organoheterocyclic compound - Hydrazone - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Organic oxygen compound - Aromatic heteromonocyclic 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