Compound Identification
SMILES
CN(CCO)C(=O)C1=CC(F)=C(CC2=C3C(F)=CN(C4CCN(CC4)C4=NOC(=N4)C(F)F)C3=NC=N2)C=C1
InChIKey
InChIKey=OJAQJOHNQNVLIO-UHFFFAOYSA-N
Formula
C25H25F4N7O3
Mass
547.515
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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Pyrrolo[2,3-d]pyrimidines Benzamides Benzoyl derivatives Dialkylarylamines Fluorobenzenes Aryl fluorides Substituted pyrroles Pyrimidines and pyrimidine derivatives Piperidines 1,2,4-oxadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Alkanolamines Organofluorides Primary alcohols Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Benzamide - Pyrrolopyrimidine - Benzoyl - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Substituted pyrrole - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Pyrrole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkanolamine - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - Primary alcohol - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available