Compound Identification
SMILES
CC1=CC=C(CNC(=O)C2=NN3CCCN(CC4=CC=C(Cl)C=C4)C(=O)C3=C2)O1
InChIKey
InChIKey=WYQJATYSOHJKPB-UHFFFAOYSA-N
Formula
C21H21ClN4O3
Mass
412.87
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Carboxylic acid derivatives
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Level 5
Carboxylic acid amides
- Level 6 2-heteroaryl carboxamides
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Level 5
Carboxylic acid amides
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Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
2-heteroaryl carboxamides
Alternative Parents
Pyrazole-5-carboxamides Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Furans Heteroaromatic compounds Lactams Amino acids and derivatives Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Heteroaromatic compound - Pyrazole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
External Descriptors
Not available