Compound Identification
SMILES
CC1=NN(C(C)=C1NC(=O)COC(=O)C1=CC=CC(=C1)C#N)C1=CC=CC=C1
InChIKey
InChIKey=XIKYRWSZGVBJCU-UHFFFAOYSA-N
Formula
C21H18N4O3
Mass
374.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
-
Subclass
Pyrazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzoic acid esters N-arylamides Benzoyl derivatives Benzonitriles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Benzonitrile - Benzoyl - N-arylamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available