Structure Information
Structure

Compound Identification

SMILES

[Cl-].CC[NH+](CC)CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(NC(=O)Oc3ccc(Br)cc3)cc12

InChIKey

InChIKey=KBJMDKLSBCQZOH-UHFFFAOYSA-N

Formula

C28H31BrCl2N4O3

Mass

622.39

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrazoles

Subclass

Indazoles

Intermediate Tree Nodes

Not available

Direct Parent

Indazoles

Alternative Parents

Phenoxy compounds Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Quaternary ammonium salts Pyrazoles Carbamate esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic chloride salts Organic oxides Organic zwitterions Organobromides Organochlorides Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indazole - Benzopyrazole - Phenoxy compound - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Quaternary ammonium salt - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.

External Descriptors

Not available

Previous Back Next