Compound Identification
SMILES
CC1=NC(SCCN2CCN(CC2)C2=C3OCC(=O)NC3=CC(Cl)=C2)=C(C#N)C(C)=C1
InChIKey
InChIKey=AOXOFMJGGNPQEK-UHFFFAOYSA-N
Formula
C22H24ClN5O2S
Mass
457.98
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 N-arylpiperazines
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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
N-arylpiperazines
Alternative Parents
Benzoxazinones Benzomorpholines 3-pyridinecarbonitriles Dialkylarylamines Alkyl aryl ethers Alkylarylthioethers N-alkylpiperazines Methylpyridines Aryl chlorides Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - Benzoxazinone - Benzomorpholine - Benzoxazine - Aryl thioether - Tertiary aliphatic/aromatic amine - 3-pyridinecarbonitrile - Dialkylarylamine - Alkyl aryl ether - Methylpyridine - N-alkylpiperazine - Alkylarylthioether - Aryl chloride - Aryl halide - Oxazinane - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Azacycle - Oxacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors
Not available