Compound Identification
SMILES
CCN1C=C(C(=N1)C1=CC(NC(=O)NC2=CC(Cl)=CC=C2)=CC=C1)C1=C2C=CNC2=NC=C1
InChIKey
InChIKey=XWRQRFRLQKTFJA-UHFFFAOYSA-N
Formula
C25H21ClN6O
Mass
456.93
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
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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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
N-phenylureas Pyrrolopyridines Chlorobenzenes Pyridines and derivatives Aryl chlorides Pyrroles Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - N-phenylurea - Pyrrolopyridine - Chlorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Pyrrole - Urea - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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