Compound Identification
SMILES
COC1=C(OCC(=O)N(C)C)C=CC(=C1)C(NC1=CC=C(C=C1)C(N)=N)C1=NC(=O)N(N1)C1=CC=CC=C1C(O)=O
InChIKey
InChIKey=LHDNZQNEPOROOK-UHFFFAOYSA-N
Formula
C28H29N7O6
Mass
559.583
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
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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
Benzoic acids Aniline and substituted anilines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Amino acids Tertiary amines Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboximidamide - Azacycle - Secondary amine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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