Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C(=O)OCOC(=O)C1=CN=C(C=C1)N1CCN(CC1)C(=O)[C@@H](CC1=CC(=C(N)C(Cl)=C1)C(F)(F)F)OC(=O)N1CCC(CC1)N1NC(=NC1=O)C1=CC=CC=C1

InChIKey

InChIKey=IPEHSNRXNZLRFW-SSEXGKCCSA-N

Formula

C40H44ClF3N8O8

Mass

857.29

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Not available

Direct Parent

Pyridinylpiperazines

Alternative Parents

N-arylpiperazines Aryl 1,2,4-triazolones Phenyl-1,2,4-triazoles Trifluoromethylbenzenes Pyridinecarboxylic acids Piperidinecarboxylic acids Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Dicarboxylic acids and derivatives Primary aromatic amines Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Carboxylic acid esters Acetals Azacyclic compounds Alkyl fluorides Organic oxides Organochlorides Organofluorides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyridinylpiperazine - N-arylpiperazine - Aryl 1,2,4-triazol-3-one - Phenyltriazole - Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Piperidinecarboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Aminopyridine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Piperidine - Dicarboxylic acid or derivatives - Primary aromatic amine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Pyridine - Tertiary carboxylic acid amide - Triazole - 1,2,4-triazole - Carbamic acid ester - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Azacycle - Organochloride - Alkyl halide - Organofluoride - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Primary amine - Organooxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.

External Descriptors

Not available

Previous Back Next