Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CN(C(=O)C2=C(Cl)C=C(C=C2)N2C=CC=N2)C2=CC=CC=C2CN1C(=O)NCCC(=O)N(CCO)CCO

InChIKey

InChIKey=HJRTYHOCKOCSOR-HXUWFJFHSA-N

Formula

C28H33ClN6O5

Mass

569.06

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodiazepine - Beta amino acid or derivatives - Phenylpyrazole - 1,4-benzodiazepine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Urea - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Alkanolamine - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organohalogen compound - Organochloride - 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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