Compound Identification
SMILES
OC(=O)C(F)(F)F.COC(C1=CN=CN1C)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC=CC(=C1)C1=CC=CC=C1
InChIKey
InChIKey=CNEQRQZQERVSRL-UHFFFAOYSA-N
Formula
C36H29ClF3N3O4
Mass
660.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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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
Phenylquinolines Phenylpyridines Biphenyls and derivatives Hydroquinolones Hydroquinolines Benzylethers Pyridinones Chlorobenzenes Aryl chlorides N-substituted imidazoles Alpha-halocarboxylic acids Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Linear 1,7-diphenylheptane skeleton - Phenylquinoline - Biphenyl - 4-phenylpyridine - Dihydroquinolone - Dihydroquinoline - Quinoline - Benzylether - Chlorobenzene - Pyridinone - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - N-substituted imidazole - Alpha-halocarboxylic acid - Azole - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Imidazole - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Ether - Azacycle - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic 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