Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CC=C(O1)C=C(C#N)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=DPFCRCVHOBNPSK-UHFFFAOYSA-N
Formula
C20H12BrNO2
Mass
378.225
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
-
Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Aryl ketones Benzoyl derivatives Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Acryloyl compounds Enones Furans Heteroaromatic compounds Nitriles Oxacyclic compounds Organic oxides Organobromides Aldehydes Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Furan - Alpha,beta-unsaturated ketone - Ketone - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available