Compound Identification
SMILES
COC1=CC([C@@H](NC2=CC=C(C=C2)C(N)=N)C2=NC(=O)N(N2)C2=CC=CC=C2C(=O)OC(=O)C(F)(F)F)=C(F)C=C1
InChIKey
InChIKey=CHEFNBWDFNVHJQ-HXUWFJFHSA-N
Formula
C26H20F4N6O5
Mass
572.477
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
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Benzyloxycarbonyls Benzoic acids and derivatives Benzoyl derivatives Anisoles Aniline and substituted anilines Methoxybenzenes Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Fluorobenzenes Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Alpha-halocarboxylic acid derivatives Vinylogous amides Carboxylic acid anhydrides Amino acids and derivatives Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzyloxycarbonyl - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Anisole - Aralkylamine - Secondary aliphatic/aromatic amine - Fluorobenzene - Alkyl aryl ether - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Carboxylic acid anhydride - Amino acid or derivatives - Secondary amine - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid amidine - Amidine - Carboximidamide - Azacycle - Organonitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organooxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available