Compound Identification
SMILES
CN1C(=O)N(C2=CC=CC=C12)C1=CC=CC(=N1)C(=O)NC1=C(C=CN=C1)N1CCN(CC1)C(=O)OC(C)(C)C
InChIKey
InChIKey=XEGMCJGHGBIQRD-UHFFFAOYSA-N
Formula
C28H31N7O4
Mass
529.601
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 Pyridinecarboxylic acids and derivatives Piperazine carboxylic acids Benzimidazoles 2-heteroaryl carboxamides Dialkylarylamines Aminopyridines and derivatives Benzenoids N-substituted imidazoles Carbamate esters Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Benzimidazole - Piperazine-1-carboxylic acid - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Dialkylarylamine - Aminopyridine - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Azole - Imidazole - Urea - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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