Compound Identification
SMILES
ClC1=CC=CC(=C1)N1CCN(CC(=O)NC2=C(C#N)C3=C(CCCC3)S2)CC1
InChIKey
InChIKey=VWYKKPRIPMJBEP-UHFFFAOYSA-N
Formula
C21H23ClN4OS
Mass
414.95
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
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Subclass
Piperazines
- Level 5 Phenylpiperazines
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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
Phenylpiperazines
Alternative Parents
Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Aniline and substituted anilines Dialkylarylamines N-arylamides Chlorobenzenes N-alkylpiperazines Aryl chlorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Nitriles Organochlorides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Tertiary aliphatic/aromatic amine - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - N-alkylpiperazine - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available