Compound Identification
SMILES
COc1ccc(CCNC(=O)C2CC3Cn4c(nc5cc(Cl)c(Cl)cc45)C3N2C)cc1
InChIKey
InChIKey=ZQRVOSAYQRZTEO-UHFFFAOYSA-N
Formula
C23H24Cl2N4O2
Mass
459.37
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
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
Benzimidazoles Pyrrolidinecarboxamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines N-substituted imidazoles N-alkylpyrrolidines Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Benzimidazole - Anisole - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Aryl chloride - Benzenoid - N-alkylpyrrolidine - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Pyrrolidine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available