Compound Identification
SMILES
COC1=N[C@H](CC2=CC=CC=C2)[C@@H]2OC(C)(C)O[C@H]2[C@@H](CC2=CC=CC=C2)N1CC1=CC(C#N)=C(F)C=C1
InChIKey
InChIKey=DMXRBOPPQAIFCV-GKQHHHCTSA-N
Formula
C31H32FN3O3
Mass
513.613
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-diazepines Aryl fluorides 1,3-dioxolanes Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Meta-diazepine - Ketal - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Meta-dioxolane - Isourea - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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