Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCN(CC1)C1=NN=NC2=C1SC1=C2C=C(C#N)C(=N1)N1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=FMFMLURHLVAKIT-UHFFFAOYSA-N
Formula
C32H31N9OS
Mass
589.72
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 Alkyl-phenylketones
-
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
Alkyl-phenylketones
Alternative Parents
N-arylpiperazines Pyridinylpiperazines Phenylpiperazines Acetophenones Thienopyridines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Benzylamines Dialkylarylamines Phenylmethylamines Aminotriazines Aminopyridines and derivatives N-alkylpiperazines Aralkylamines 1,2,3-triazines Imidolactams Heteroaromatic compounds Thiophenes Trialkylamines Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pyridinylpiperazine - Phenylpiperazine - N-arylpiperazine - Acetophenone - Thienopyridine - Tertiary aliphatic/aromatic amine - Phenylmethylamine - Benzoyl - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Benzylamine - N-alkylpiperazine - Aralkylamine - Amino-1,2,3-triazine - Aminopyridine - Piperazine - Benzenoid - Pyridine - Triazine - Imidolactam - 1,4-diazinane - Monocyclic benzene moiety - 1,2,3-triazine - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available