Compound Identification
SMILES
COC(=O)C1=C(CCC2=NN=C(N2C)C2=CC=C(NC(=O)NC3=C(OC)C=CC(C)=C3)C=C2)C(Cl)=CC=C1
InChIKey
InChIKey=HMPKGJCCMDBVCI-UHFFFAOYSA-N
Formula
C28H28ClN5O4
Mass
534.01
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
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
-
Class
Azoles
-
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
3-halobenzoic acids and derivatives N-phenylureas Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Methyl esters Heteroaromatic compounds Ureas Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - N-phenylurea - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Methoxyaniline - Benzoyl - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Toluene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Urea - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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