Compound Identification
SMILES
OC(=O)C(F)(F)F.COCCNC(=O)C1=CC(NC2=NC(N[C@@H]3CCNC3)=NC(=N2)N(C)CC(C)(C)C)=C(C)C=C1
InChIKey
InChIKey=JDAMQQBCRWNNFA-GMUIIQOCSA-N
Formula
C26H39F3N8O4
Mass
584.645
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminobenzoic acids and derivatives
Alternative Parents
p-Toluamides Benzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives N-aliphatic s-triazines 1,3,5-triazines Pyrrolidines Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Dialkyl ethers Carboxylic acids Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Aminobenzoic acid or derivatives - Benzamide - Toluamide - P-toluamide - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - N-aliphatic s-triazine - Toluene - Amino-1,3,5-triazine - Aminotriazine - 1,3,5-triazine - Triazine - Heteroaromatic compound - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organonitrogen compound - Alkyl halide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available