Compound Identification
SMILES
CC(C)N(CC1=CN(CC2=CC=CC(=C2)C#N)N=N1)CC(O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=WCXKDXIRYAWKNP-UHFFFAOYSA-N
Formula
C25H26F2N8O
Mass
492.535
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
Fluorobenzenes Aralkylamines Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - 1,2,3-triazole - Tertiary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Amine - Aromatic alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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