Compound Identification
SMILES
COC1=CC=CC=C1N1CCN(CCCN2N=CC(=N2)C(=O)C2=CC=CC=C2)CC1
InChIKey
InChIKey=MHDOZDCUUODYAC-UHFFFAOYSA-N
Formula
C23H27N5O2
Mass
405.502
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
Phenylpiperazines N-arylpiperazines Aminophenyl ethers Methoxyanilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers N-alkylpiperazines Heteroaromatic compounds Triazoles Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Phenylpiperazine - N-arylpiperazine - Methoxyaniline - Aminophenyl ether - Benzoyl - Methoxybenzene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Phenoxy compound - Anisole - N-alkylpiperazine - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - 1,2,3-triazole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic 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