Compound Identification
SMILES
NC1=NC(NC2=CC=C(OCCN3CCCC3)C=C2)=NN1C(=O)C1=CC(OC(F)(F)F)=CC=C1
InChIKey
InChIKey=QKQFKLKHQPURLC-UHFFFAOYSA-N
Formula
C22H23F3N6O3
Mass
476.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Benzoic acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers N-alkylpyrrolidines Triazoles Heteroaromatic compounds Trihalomethanes Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - N-alkylpyrrolidine - Azole - Pyrrolidine - 1,2,4-triazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Trihalomethane - Azacycle - Organoheterocyclic compound - Ether - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Halomethane - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available