Compound Identification
SMILES
CCC1=C(C)N=C(CCC2=NC(NCC3=CC(NC(=O)OC(C)C)=CC(Cl)=C3)=CC(=C2)N2CCOCC2)S1
InChIKey
InChIKey=VQCZRRYZXFJVQA-UHFFFAOYSA-N
Formula
C28H36ClN5O3S
Mass
558.14
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzylamines
- Level 5 2-benzylaminopyridines
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Subclass
Benzylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzylamines
Intermediate Tree Nodes
Not available
Direct Parent
2-benzylaminopyridines
Alternative Parents
Phenylcarbamic acid esters 2,4,5-trisubstituted thiazoles Dialkylarylamines Secondary alkylarylamines Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Morpholines Imidolactams Carbamate esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-benzylaminopyridine - Phenylcarbamic acid ester - 2,4,5-trisubstituted 1,3-thiazole - Dialkylarylamine - Aminopyridine - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Oxazinane - Pyridine - Aryl chloride - Morpholine - Imidolactam - Aryl halide - Carbamic acid ester - Thiazole - Heteroaromatic compound - Azole - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.
External Descriptors
Not available