Compound Identification
SMILES
COC1=CC2=NC3=C(C=C2C=C1)C(N)=NN3C(=O)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=DZVLUUYVTFCAGP-UHFFFAOYSA-N
Formula
C21H20N4O5
Mass
408.414
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
Aminoquinolines and derivatives Pyrazolopyridines Benzoic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyridines and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzoylpyrazole - Aminoquinoline - Quinoline - Benzoic acid or derivatives - Pyrazolopyridine - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Pyridine - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Ether - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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