Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NOC(=N1)C1CCCCN1C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=JOWUGNHAVOALAI-UHFFFAOYSA-N
Formula
C21H20BrN3O3
Mass
442.313
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
- Level 5 1-benzoylpiperidines
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-benzoylpiperidines
Alternative Parents
N-benzoylpiperidines Phenyloxadiazoles 2-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpiperidine - 1-benzoylpiperidine - Phenyl-1,2,4-oxadiazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Piperidine - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Vinylogous halide - Oxadiazole - Azole - 1,2,4-oxadiazole - Heteroaromatic compound - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors
Not available