Compound Identification
SMILES
COC(=O)C1=CC(NC2=CC(C#N)=C(C=C2)N2C=NC(C)=C2)=NN1CC1=CC(F)=C(F)C(F)=C1
InChIKey
InChIKey=IQQNVGSCSBHULO-UHFFFAOYSA-N
Formula
C23H17F3N6O2
Mass
466.424
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Aniline and substituted anilines Pyrazole carboxylic acids and derivatives Benzonitriles Imidazolyl carboxylic acids and derivatives Fluorobenzenes Aryl fluorides Imidolactams N-substituted imidazoles Heteroaromatic compounds Methyl esters Amino acids and derivatives Secondary amines Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylimidazole - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Benzonitrile - Imidazolyl carboxylic acid derivative - Aniline or substituted anilines - Fluorobenzene - Halobenzene - N-substituted imidazole - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Methyl ester - Pyrazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Nitrile - Carbonitrile - Secondary amine - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available