Compound Identification
SMILES
CCOC(=O)N1CCN(CC1)C1=C(C=C2SC(=S)N(CC3=CC=CC=C3Cl)C2=O)C(C)=C(C#N)C(=O)N1C
InChIKey
InChIKey=JHBFNCQUISMXTL-UHFFFAOYSA-N
Formula
C26H26ClN5O4S2
Mass
572.1
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
- Level 5 Pyridinylpiperazines
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Subclass
Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines 3-pyridinecarbonitriles Chlorobenzenes Dihydropyridines Methylpyridines Pyridinones Aminopyridines and derivatives Thiazolidinethiones Aryl chlorides Heteroaromatic compounds Cyclic dithiocarbamic acid esters Carbamate esters Lactams Azacyclic compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Dialkylarylamine - 3-pyridinecarbonitrile - Aminopyridine - Chlorobenzene - Dihydropyridine - Halobenzene - Pyridinone - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Aryl halide - Pyridine - Aryl chloride - Hydropyridine - Heteroaromatic compound - Carbamic acid ester - Thiazolidine - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Cyanide - Organohalogen compound - Organochloride - 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