Compound Identification
SMILES
COC1=CC=CC(=N1)C(NC(=O)CN1N=C(N(C[C@H](O)C(F)(F)F)C1=O)C1=CC=C(Cl)C=C1)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=LVGKWPDTEQBQBO-AJZOCDQUSA-N
Formula
C27H22ClF6N5O4
Mass
629.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Triazoles
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Level 5
Triazolones
- Level 6 Aryl 1,2,4-triazolones
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Level 5
Triazolones
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Subclass
Triazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Triazolones
Direct Parent
Aryl 1,2,4-triazolones
Alternative Parents
Phenyl-1,2,4-triazoles Trifluoromethylbenzenes Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Fluorohydrins Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl 1,2,4-triazol-3-one - Phenyltriazole - Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary alcohol - Fluorohydrin - Carboxamide group - Secondary carboxylic acid amide - Halohydrin - Carboxylic acid derivative - Ether - Azacycle - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.
External Descriptors
Not available