Compound Identification
SMILES
CCCCN1C(=O)C(C#N)=C(C)C(\C=C2\SC(=S)N(CCCCCCCCCCC(O)=O)C2=O)=C1N1CCN(C)CC1
InChIKey
InChIKey=DFTOPUGSQBBJOT-YYADALCUSA-N
Formula
C31H45N5O4S2
Mass
615.85
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 3-pyridinecarbonitriles Dialkylarylamines Medium-chain fatty acids Pyridinones Aminopyridines and derivatives N-methylpiperazines Dihydropyridines Methylpyridines Heterocyclic fatty acids Thiazolidinethiones Cyclic dithiocarbamic acid esters Heteroaromatic compounds Trialkylamines Amino acids Lactams Nitriles Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Medium-chain fatty acid - 3-pyridinecarbonitrile - Dialkylarylamine - Aminopyridine - Dihydropyridine - Heterocyclic fatty acid - Pyridinone - Methylpyridine - N-methylpiperazine - N-alkylpiperazine - Hydropyridine - Pyridine - Thiazolidinethione - Fatty acyl - Cyclic dithiocarbamic acid ester - Thiazolidine - Heteroaromatic compound - Dithiocarbamic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur 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