Compound Identification
SMILES
Cl.CN1CCN(CC2=CC=C(C=C2)C(=O)NN(C2CCCC2)C2=NC(=NC=C2Br)C#N)CC1
InChIKey
InChIKey=AEQQWLITLXVDAD-UHFFFAOYSA-N
Formula
C23H29BrClN7O
Mass
534.89
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines N-methylpiperazines Halopyrimidines Aryl bromides Imidolactams Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid hydrazides Azacyclic compounds Nitriles Organobromides Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Halopyrimidine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Aryl bromide - Imidolactam - Pyrimidine - Piperazine - Aryl halide - 1,4-diazinane - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrochloride - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available