Compound Identification
SMILES
OC1C(O)C(CC2=CC=CC=C2)N(CC2=CC(C#N)=C(F)C=C2)C(=O)N(CC2=CC=CC=C2)C1CC1=CC=CC=C1
InChIKey
InChIKey=VPQSGKZFVBCJPW-UHFFFAOYSA-N
Formula
C34H32FN3O3
Mass
549.646
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
Fluorobenzenes 1,3-diazepanes Aryl fluorides Ureas Secondary alcohols 1,2-diols Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - 1,3-diazepane - Diazepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,2-diol - Urea - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Alcohol - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen 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