Compound Identification
SMILES
CC(=O)C1=CC(CN)=C(CN(CC2=NC3=CC=CC=C3N2)C2CCCC3=C2N=CC=C3)C=C1
InChIKey
InChIKey=RLRPVDMHNIXWNC-UHFFFAOYSA-N
Formula
C27H29N5O
Mass
439.563
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
Hydroquinolines Acetophenones Benzimidazoles Phenylmethylamines Aryl alkyl ketones Benzylamines Benzoyl derivatives Aralkylamines Pyridines and derivatives Imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Tetrahydroquinoline - Acetophenone - Benzimidazole - Phenylmethylamine - Benzylamine - Benzoyl - Aryl alkyl ketone - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Primary aliphatic 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