Compound Identification
SMILES
OCCN1CCC(=CC1)C1=CN=C(N=C1)N1CCO[C@@H](CN2N=NC3=NC=C(N=C23)C2=CC(C#N)=C(F)C=C2)C1
InChIKey
InChIKey=XAEJUWQOJWOOCF-JOCHJYFZSA-N
Formula
C27H27FN10O2
Mass
542.579
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
Dialkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Pyrazines Aryl fluorides Morpholines Hydropyridines Triazoles Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Nitriles Organofluorides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Hydropyridine - Morpholine - Oxazinane - Pyrazine - Pyrimidine - Azole - Heteroaromatic compound - 1,2,3-triazole - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Alkanolamine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Organofluoride - 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