Compound Identification
SMILES
CN1CCC(CC1)C1=CN(C(=O)C2=C(Cl)C=CC=C2Cl)C2=C1C=NC=C2
InChIKey
InChIKey=UIXDVQSRWYQJHJ-UHFFFAOYSA-N
Formula
C20H19Cl2N3O
Mass
388.29
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
2-halobenzoic acids and derivatives
Alternative Parents
Pyrrolopyridines Benzoyl derivatives Dichlorobenzenes Aralkylamines Pyridines and derivatives Piperidines Aryl chlorides Substituted pyrroles Vinylogous halides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Pyrrolopyridine - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Pyridine - Substituted pyrrole - Heteroaromatic compound - Vinylogous halide - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available