Compound Identification
SMILES
C[C@@H](NC(=O)C1=C(N)C(=O)NC(=O)N1)C1=CC=CC(=C1)C1=CN(CCN2CCOCC2)N=C1
InChIKey
InChIKey=HEAFMPPADBPZDP-CQSZACIVSA-N
Formula
C22H27N7O4
Mass
453.503
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
Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Aminopyrimidines and derivatives Pyrimidones Benzene and substituted derivatives Hydropyrimidines Morpholines Heteroaromatic compounds Vinylogous amides Ureas Lactams Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Lactam - Amino acid or derivatives - Urea - Secondary carboxylic acid amide - Ether - Dialkyl ether - Oxacycle - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Primary amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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