Compound Identification
SMILES
O[C@@H]1[C@@H](CCC2=CC=CC=C2)N(CC2=CC(C#N)=C(F)C=C2)C(=O)N(CC2=CC=CC=C2)[C@@H]1CC1=CC=CC=C1
InChIKey
InChIKey=MWIIDEOQBAQTQT-WRVRXEDSSA-N
Formula
C34H32FN3O2
Mass
533.647
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Pyrimidones Fluorobenzenes Diazinanes Aryl fluorides Ureas Secondary alcohols Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - 1,3-diazinane - Pyrimidine - Carbonic acid derivative - Urea - Secondary alcohol - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available