Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.FC(F)(CNC1=NC=CN(CC(=O)NCC2=CC=CC=C2N2C=NN=N2)C1=O)C1=CC=CC=N1

InChIKey

InChIKey=CTIBRPIJOHBLOY-UHFFFAOYSA-N

Formula

C23H20F5N9O4

Mass

581.464

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Tetrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenyltetrazoles and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Phenyltetrazole - Aminopyrazine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazine - Pyridine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Amine - Organooxygen compound - Organofluoride - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.

External Descriptors

Not available

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