Compound Identification
SMILES
FC1=CC=CC=C1CN1CCN(CC(=O)NC2C3=C(N(N=C3)C3=CC=CC=C3)C3=C(Br)SC(Br)=C23)CC1
InChIKey
InChIKey=BDJVKCIFULCIBY-UHFFFAOYSA-N
Formula
C27H24Br2FN5OS
Mass
645.39
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
Phenylpyrazoles N-piperazineacetamides Benzylamines Phenylmethylamines Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Aryl bromides Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Phenylpyrazole - N-piperazineacetamide - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl fluoride - Aryl halide - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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