Compound Identification
SMILES
CC#CCN1C(=NC2=C1C(=O)N(C)C(OC1(CC1)C([O-])=O)=N2)N1CCNCC1
InChIKey
InChIKey=QBRTVOZQCRUWGN-UHFFFAOYSA-M
Formula
C18H21N6O4
Mass
385.405
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
6-oxopurines Dialkylarylamines Pyrimidones Alkyl aryl ethers N-substituted imidazoles Aminoimidazoles Cyclopropanecarboxylic acids Heteroaromatic compounds Amino acids Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - 6-oxopurine - Imidazopyrimidine - Purine - Dialkylarylamine - Alkyl aryl ether - Pyrimidone - Aminoimidazole - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Lactam - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Ether - Amine - Organooxygen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic anion - 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