Compound Identification
SMILES
ClC1=CC=CC(=C1)N1CC[NH+](CC(=O)NC2=C(C#N)C3=C(CCCC3)S2)CC1
InChIKey
InChIKey=VWYKKPRIPMJBEP-UHFFFAOYSA-O
Formula
C21H24ClN4OS
Mass
415.96
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 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 Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organic cation - 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