Compound Identification
SMILES
CC(C)CN(CC1=NC2=C(N=CC=C2)N1C1CCCC1)C(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=UGYDVNXMCHHVPD-UHFFFAOYSA-N
Formula
C23H27BrN4O
Mass
455.4
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
Benzamides Imidazopyridines Benzoyl derivatives Bromobenzenes Aryl bromides Pyridines and derivatives N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Imidazopyridine - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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