Compound Identification
SMILES
COC1=CC=C(C=C1)N1N=C(CN2N=CN=N2)C2=C1C(=O)N(C(C)=N2)C1=CC=C(Br)C=C1
InChIKey
InChIKey=HEVVONHGUPOONB-UHFFFAOYSA-N
Formula
C21H17BrN8O2
Mass
493.325
Taxonomic Classification
Taxonomy Tree
-
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
Methoxyanilines Pyrazolopyrimidines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Pyrimidones Aryl bromides Heteroaromatic compounds Tetrazoles Lactams Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Pyrazolopyrimidine - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Pyrimidone - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tetrazole - Lactam - Azacycle - Ether - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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