Compound Identification
SMILES
CN1CCC(CC1)OC1=NC=CC(=N1)N1CC2=C(C1)C(NC(=O)C1=CC=C(F)C=C1)=NN2
InChIKey
InChIKey=SITPYYKTFZOHBJ-UHFFFAOYSA-N
Formula
C22H24FN7O2
Mass
437.479
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 Pyrrolopyrazoles Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Piperidines Imidolactams Pyrroles Pyrazoles Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Pyrrolopyrazole - Dialkylarylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aminopyrimidine - Aryl halide - Aryl fluoride - Piperidine - Pyrimidine - Imidolactam - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - 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