Compound Identification
SMILES
CN1C=NC=C1C(OCC1=C(N=C(C=C1)C#N)N1CCN(CC1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=BLLWRZKPPHTMHT-UHFFFAOYSA-N
Formula
C28H31N7O3
Mass
513.602
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 Pyridinylpiperazines
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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
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Piperazine carboxylic acids Benzylethers Benzonitriles Imidazolyl carboxylic acids and derivatives Dialkylarylamines Aminopyridines and derivatives N-substituted imidazoles Imidolactams Carbamate esters Heteroaromatic compounds Nitriles Dialkyl ethers Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Benzylether - Imidazolyl carboxylic acid derivative - Dialkylarylamine - Benzonitrile - Aminopyridine - Imidolactam - Benzenoid - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Carbamic acid ester - Tertiary amine - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors
Not available