Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)N1CCN(CC1)C(=O)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=ZPCUHILUFXYJNY-UHFFFAOYSA-N
Formula
C21H18BrN3O3
Mass
440.297
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Indoles Aryl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Substituted pyrroles Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Tertiary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Indole or derivatives - Benzamide - Indole - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - 1,4-diazinane - Aryl bromide - Piperazine - Substituted pyrrole - Aryl halide - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Ketone - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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