Compound Identification
SMILES
[Na+].COC1=C(C=C(C=C1)C(C)C)C1=C(CN(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=NC=C(OCCCC([O-])=O)C=C2)C=C(C=C1)C(F)(F)F
InChIKey
InChIKey=XXPJNBBQTUVTMC-UHFFFAOYSA-M
Formula
C36H32F9N2NaO4
Mass
750.637
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
Biphenyls and derivatives Trifluoromethylbenzenes Phenylpropanes Cumenes Phenoxy compounds Anisoles Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Carboxylic acid salts Organic metal halides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-benzylaminopyridine - Biphenyl - Trifluoromethylbenzene - Cumene - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic sodium salt - Carbonyl group - Organic oxide - Organic zwitterion - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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