Compound Identification
SMILES
CC1=C(NCCCCNC(=O)OC(C)(C)C)C(=C(N=C1Cl)N(CC1=CC=CC=C1)CC1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=JMJJXMFMLJSYGW-UHFFFAOYSA-N
Formula
C29H36ClN5O4
Mass
554.09
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
-
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
Dialkylarylamines Nitroaromatic compounds Secondary alkylarylamines 2-halopyridines Aminopyridines and derivatives Methylpyridines Aryl chlorides Imidolactams Carbamate esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organochlorides Organic salts Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-benzylaminopyridine - Nitroaromatic compound - Dialkylarylamine - Aminopyridine - 2-halopyridine - Methylpyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Amine - Organohalogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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