Compound Identification
SMILES
CN(C)CCNC1=NC=CC(=N1)N1CC2=C(C1)C(NC(=O)C1=CC=C(F)C=C1)NN2
InChIKey
InChIKey=RCQAAWVAKITOHH-UHFFFAOYSA-N
Formula
C20H25FN8O
Mass
412.473
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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Pyrrolines Pyrazolines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Alkylhydrazines Azacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrazoline - Pyrroline - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkylhydrazine - Organofluoride - Organohalogen compound - Hydrazine derivative - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available