Compound Identification
SMILES
COC1=C(OC)C(Br)=CC(=C1)C1C2=C(OC(N)=C1C#N)C1=C(C=C2)N(C)C=N1
InChIKey
InChIKey=VDQIPHZGVJIVPD-UHFFFAOYSA-N
Formula
C20H17BrN4O3
Mass
441.285
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans Dimethoxybenzenes Benzimidazoles Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes Aryl bromides N-substituted imidazoles Heteroaromatic compounds Ketene acetals Azacyclic compounds Oxacyclic compounds Nitriles Organobromides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzimidazole - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Bromobenzene - Halobenzene - Alkyl aryl ether - N-substituted imidazole - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Ketene acetal or derivatives - Organoheterocyclic compound - Azacycle - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available