Compound Identification
SMILES
ClC1=C(C=CC(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)=C1)C#N
InChIKey
InChIKey=IBCANTWOKYWQJY-DZKIICNBSA-N
Formula
C17H18ClN5O
Mass
343.82
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
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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
Aniline and substituted anilines Benzonitriles N-acylpyrrolidines Phenylalkylamines Pyrrolidinecarboxamides Chlorobenzenes Secondary alkylarylamines Aryl chlorides Tertiary carboxylic acid amides Nitriles Azacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - Benzonitrile - Phenylalkylamine - Aniline or substituted anilines - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Carbonitrile - Nitrile - Amine - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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