Compound Identification
SMILES
CCOC1=CC=C(C=C1)C1=C2C(C3=CC(OCC)=C(O)C(Br)=C3)C(C#N)=C(N)OC2=NN1
InChIKey
InChIKey=TZMMVVXHYDHHKJ-UHFFFAOYSA-N
Formula
C23H21BrN4O4
Mass
497.349
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
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Phenoxy compounds Phenol ethers O-bromophenols Bromobenzenes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Phenoxy compound - 2-halophenol - Phenol ether - 2-bromophenol - Alkyl aryl ether - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ketene acetal or derivatives - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Cyanide - Organonitrogen compound - Organohalogen compound - Organobromide - 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