Compound Identification
SMILES
COC1=C(CN2CCN(CC3=CC=CC=C3)CC2)C=CC(=C1)C(=O)CC1=NC=CC(=C1)C1=NC2=C(O1)C=CC=N2
InChIKey
InChIKey=IXSHVLWSNWDODX-UHFFFAOYSA-N
Formula
C32H31N5O3
Mass
533.632
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
Oxazolopyridines Phenylmethylamines Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpiperazines Pyridines and derivatives Oxazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1,3-oxazolopyridine - Phenoxy compound - Anisole - Benzoyl - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Oxazole - Heteroaromatic compound - Azole - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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