Compound Identification
SMILES
COC1=C(Br)C=CC(NC2=NC=C(O2)C2=CC=CC=C2CN(C)C(=O)CN)=C1
InChIKey
InChIKey=NLTJRDCUWSXAND-UHFFFAOYSA-N
Formula
C20H21BrN4O3
Mass
445.317
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
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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
Phenyl-1,3-oxazoles Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes 2,5-disubstituted oxazoles Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organobromides Monoalkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - Phenyl-1,3-oxazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Primary aliphatic amine - Carbonyl group - Organohalogen compound - Organic oxide - Organobromide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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