Compound Identification
SMILES
CCNC1=CC(N=C2S\C(=C/N(C)C3=CC(OC)=CC=C3)C(=O)N2CC2=CC=CC=C2)=C(C=C1)C(C)=O
InChIKey
InChIKey=NRAAERKSZYJFCO-OETLLKSNSA-N
Formula
C29H30N4O3S
Mass
514.64
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-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
Alkyl-phenylketones
Alternative Parents
Acetophenones Aminophenyl ethers Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Tertiary alkylarylamines Methoxybenzenes Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Thiazolidines Vinylogous amides Isothioureas Amino acids and derivatives Enamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Methoxyaniline - Acetophenone - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Thiazolidine - Tertiary amine - Amino acid or derivatives - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Ether - Enamine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic 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