Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.COC1=C(C=C(Cl)C=C1)N1CCN(CCCNC2=NC=CC(=N2)C(N)=O)CC1
InChIKey
InChIKey=AEIPSSWDRGYIBS-WLHGVMLRSA-N
Formula
C23H29ClN6O6
Mass
520.97
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
N-arylpiperazines Pyrimidinecarboxamides Aminophenyl ethers Methoxyanilines 2-heteroaryl carboxamides Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives N-alkylpiperazines Chlorobenzenes Unsaturated fatty acids Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
N-arylpiperazine - Phenylpiperazine - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidinecarboxamide - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - 2-heteroaryl carboxamide - Dialkylarylamine - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Pyrimidine - Unsaturated fatty acid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic 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