Structure Information
Structure

Compound Identification

SMILES

OC=O.C[C@H]1CCCCN1C1=NN=C2C=CC(O[C@@H]3CC[C@H](NC(=O)NC4=CC(=NN4C4=CC(CCN(C)C)=C(Cl)C=C4)C(C)(C)C)C4=CC=CC=C34)=CN12

InChIKey

InChIKey=ZKKNGUSMDGIDPN-HIWFXXMMSA-N

Formula

C41H52ClN9O4

Mass

770.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Tetralins Triazolopyridines Phenethylamines Dialkylarylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes Pyridines and derivatives Piperidines Aryl chlorides Triazoles Heteroaromatic compounds Ureas Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Phenylpyrazole - Tetralin - Phenethylamine - Triazolopyridine - Dialkylarylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Pyridine - Piperidine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Triazole - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

External Descriptors

Not available

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