Compound Identification
SMILES
CC1=C(CC2=CC=CC=C2)C(=NC(=N1)C1=CC=CC=C1)N1CCCN(CC1)C(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=XMSHYKCGAATIDL-UHFFFAOYSA-N
Formula
C30H29BrN4O
Mass
541.493
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Dialkylarylamines Benzoyl derivatives Bromobenzenes Aminopyrimidines and derivatives 1,4-diazepanes Imidolactams Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Dialkylarylamine - Benzoyl - 1,4-diazepane - Aminopyrimidine - Bromobenzene - Diazepane - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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