Compound Identification
SMILES
CCOC(=O)C1=C(N(N=C1N)C(=O)C1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=BDZBBLIKVXTSFU-UHFFFAOYSA-N
Formula
C19H16BrN3O3
Mass
414.259
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
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Level 5
Benzoylpyrazoles
- Level 6 N-benzoylpyrazoles
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Level 5
Benzoylpyrazoles
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Benzoylpyrazoles
Direct Parent
N-benzoylpyrazoles
Alternative Parents
Phenylpyrazoles 4-halobenzoic acids and derivatives Pyrazole carboxylic acids and derivatives Bromobenzenes Imidolactams Aryl bromides Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpyrazole - Phenylpyrazole - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Pyrazole-4-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Imidolactam - Aryl bromide - Aryl halide - Vinylogous amide - Heteroaromatic compound - Pyrazole - Azole - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzoylpyrazoles. These are aromatic heterocyclic compounds containing a pyrazole ring that is N-substituted at the 1-position by a benzoyl group.
External Descriptors
Not available