Compound Identification
SMILES
CC1(C)O[C@@H]2[C@@H](O1)[C@@H](CC1=CC=CC=C1)N(CC1=CC(C#N)=C(F)C=C1)C(=O)N(CC1=CC=CC=C1)[C@@H]2CC1=CC=CC=C1
InChIKey
InChIKey=KMQTUHVQGADKQN-WDKGQIBQSA-N
Formula
C37H36FN3O3
Mass
589.711
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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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
Ketals Fluorobenzenes 1,3-diazepanes Aryl fluorides 1,3-dioxolanes Ureas Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - 1,3-diazepane - Ketal - Diazepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Meta-dioxolane - Urea - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - 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