Compound Identification
SMILES
OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(C=C2)N2CCN(CC2)C2=CC=C(C=C2)[N+]([O-])=O)C2=C(S1)C=C(O)C=C2
InChIKey
InChIKey=XCTXIPQIYWWWTJ-UHFFFAOYSA-N
Formula
C31H25N3O5S
Mass
551.62
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
Phenylpiperazines 3-aroylthiophenes N-arylpiperazines 1-benzothiophenes Nitrobenzenes Thiophene carboxylic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - N-arylpiperazine - 3-aroylthiophene - Phenylpiperazine - Benzothiophene - 1-benzothiophene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Heteroaromatic compound - Thiophene - Tertiary amine - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Amine - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available