Compound Identification
SMILES
OC(=O)C(F)(F)F.N#CC1=NC2=NC(C3=CC=C(CN4CCC(CC4)C4=NC(=NN4)C4=CC=CC=N4)C=C3)=C(C=C2C=N1)C1=CC=CC=C1
InChIKey
InChIKey=YNHDGEFUMHODIO-UHFFFAOYSA-N
Formula
C35H28F3N9O2
Mass
663.665
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Phenylpyridines Pyridyl-1,2,4-triazoles Pyrido[2,3-d]pyrimidines Phenylmethylamines Benzylamines Aralkylamines Pyrimidines and pyrimidine derivatives Triazoles Alpha-halocarboxylic acids Heteroaromatic compounds Trialkylamines Azacyclic compounds Nitriles Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
N-benzylpiperidine - 2-phenylpyridine - 3-phenylpyridine - Pyridyltriazole - Pyridyl-1,2,4-triazole - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Cyanide - Amine - Alkyl fluoride - Alkyl halide - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available