Compound Identification
SMILES
COC1=CC=C(C[C@H]2CN3[C@@H](CC4=CC=CC=C4)CN=C3N2CCNC(=O)C2=CC(Br)=C(C)C=C2)C=C1
InChIKey
InChIKey=HQCFZNPEJFNWGY-UIOOFZCWSA-N
Formula
C30H33BrN4O2
Mass
561.524
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
p-Toluamides Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Imidazolines Imidazolidines Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Toluamide - P-toluamide - Phenol ether - Benzoyl - Methoxybenzene - Phenoxy compound - Anisole - Bromobenzene - Alkyl aryl ether - Toluene - Halobenzene - Aryl halide - Aryl bromide - Imidazolidine - 2-imidazoline - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Carboximidamide - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen 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