Compound Identification
SMILES
COC1=C(CN2CCCC2)C=CC(=C1)C(=O)C1=C(SC2=C1C=CC(OCC1=CC=CC=C1)=C2)C1=CN=C(OCCN2CCCC2)C=C1
InChIKey
InChIKey=XIQJVIAKLWJHRB-UHFFFAOYSA-N
Formula
C39H41N3O4S
Mass
647.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
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
3-aroylthiophenes 1-benzothiophenes Thiophene carboxylic acids and derivatives Phenylmethylamines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Pyridines and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Benzothiophene - 1-benzothiophene - Thiophene carboxylic acid or derivatives - Benzylamine - Methoxybenzene - Benzoyl - Phenol ether - Phenylmethylamine - Phenoxy compound - Anisole - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - 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