Compound Identification
SMILES
CCOC(=O)C1=C(NCC2=CC(OC(C)C)=CC(=C2)C2=CN(C3=NC=C(Br)C=C23)S(=O)(=O)C2=CC=CC=C2)N=CC=C1
InChIKey
InChIKey=IXBXAWCDZFKFEA-UHFFFAOYSA-N
Formula
C31H29BrN4O5S
Mass
649.56
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
Phenylpyrroles Benzenesulfonamides Benzenesulfonyl compounds Pyrrolopyridines Pyridinecarboxylic acids Phenol ethers Phenoxy compounds Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Aryl bromides Organosulfonic acids and derivatives Heteroaromatic compounds Sulfonyls Vinylogous amides Carboxylic acid esters Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzylaminopyridine - 3-phenylpyrrole - Benzenesulfonamide - Benzenesulfonyl group - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyridine - Aryl bromide - Aryl halide - Pyridine - Substituted pyrrole - Imidolactam - Vinylogous amide - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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