Compound Identification
SMILES
CC1=C2C=CC2=C1.COCCN1C=CC(=CC1=O)N1C=C(N=C1C)C#C
InChIKey
InChIKey=HWUCTODPMWVNFW-UHFFFAOYSA-N
Formula
C21H21N3O2
Mass
347.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Imidazoles
-
Level 5
Substituted imidazoles
-
Level 6
Trisubstituted imidazoles
- Level 7 1,2,4-trisubstituted imidazoles
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Level 6
Trisubstituted imidazoles
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Level 5
Substituted imidazoles
-
Subclass
Imidazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles - Trisubstituted imidazoles
Direct Parent
1,2,4-trisubstituted imidazoles
Alternative Parents
Pyridinones Dihydropyridines Benzenoids N-substituted imidazoles Vinylogous amides Aromatic hydrocarbons Heteroaromatic compounds Polycyclic hydrocarbons Lactams Dialkyl ethers Acetylides Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Unsaturated hydrocarbons
Molecular Framework
Not available
Substituents
1,2,4-trisubstituted-imidazole - Dihydropyridine - Pyridinone - Hydropyridine - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Aromatic hydrocarbon - Polycyclic hydrocarbon - Lactam - Azacycle - Acetylide - Dialkyl ether - Ether - Organic oxygen compound - Unsaturated hydrocarbon - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Hydrocarbon - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3.
External Descriptors
Not available