Compound Identification
SMILES
CCC(N(CCN)C(=O)C1=CC=C(Br)C=C1)C1=NC=C(C2CC2)C(=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=CETCDTIJBSMSJL-UHFFFAOYSA-N
Formula
C26H29BrN4O2
Mass
509.448
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 Benzoyl derivatives Pyrimidones Bromobenzenes Aryl bromides Hydropyrimidines Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organobromides Organooxygen compounds Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Pyrimidone - Pyrimidine - Aryl bromide - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Organobromide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Aromatic heteromonocyclic 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