Compound Identification
SMILES
FC1=CC=CC=C1C(=O)NCCC(=O)NN=CC1=CC=C(OCC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=CQLGDWDUWUCFTI-UHFFFAOYSA-N
Formula
C25H21FN4O3
Mass
444.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Benzonitriles Benzoyl derivatives Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Ether - Carbonitrile - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Cyanide - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available