Compound Identification
SMILES
COC1=C(OC)C=C(C(=O)N2CCC(CC2)C2=NC(=CS2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C(Br)=C1
InChIKey
InChIKey=QCGNMTKIKJEDIU-UHFFFAOYSA-N
Formula
C23H21BrClN3O5S
Mass
566.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoyl derivatives
- Level 5 1-benzoylpiperidines
-
Subclass
Benzoyl derivatives
-
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 Dimethoxybenzenes 2-halobenzoic acids and derivatives Nitrobenzenes Benzamides Nitroaromatic compounds Phenoxy compounds Anisoles Bromobenzenes 2,4-disubstituted thiazoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Aryl bromides Heteroaromatic compounds Vinylogous halides Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organochlorides Organonitrogen compounds Organic salts Organobromides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpiperidine - 1-benzoylpiperidine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Aryl bromide - Aryl chloride - Aryl halide - Piperidine - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Vinylogous halide - Azole - Organic nitro compound - Carboxamide group - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organobromide - Organic oxygen compound - Organohalogen compound - Organic oxide - Organic cation - 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