Compound Identification
SMILES
ClC1=CC2=C(OCO2)C=C1CN1CCN(CC1)C(=O)C1=CC2=C(C=C1)N=CN2
InChIKey
InChIKey=IKKFNYXSZIGBLB-UHFFFAOYSA-N
Formula
C20H19ClN4O3
Mass
398.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Benzimidazoles Aralkylamines N-alkylpiperazines Aryl chlorides Benzenoids Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzimidazole - N-alkylpiperazine - Aralkylamine - Aryl chloride - 1,4-diazinane - Benzenoid - Piperazine - Aryl halide - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available