Compound Identification
SMILES
CC1=C(Cl)C=CC(CC(CC(=O)N2CCC(CC2)N2NC(=NC2=O)C2=CC=CC=C2)C(=O)N2CCC(CC2)C2CCN(CC(O)=O)CC2)=C1
InChIKey
InChIKey=RMZFHGSAMGIZDP-UHFFFAOYSA-N
Formula
C37H47ClN6O5
Mass
691.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Triazolones
- Level 6 Aryl 1,2,4-triazolones
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Level 5
Triazolones
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Subclass
Triazoles
-
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 Alpha amino acids N-acylpiperidines Toluenes Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl 1,2,4-triazol-3-one - Phenyl-1,2,4-triazole - Phenyltriazole - Alpha-amino acid - Alpha-amino acid or derivatives - N-acyl-piperidine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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