Compound Identification
SMILES
COC1=C(OC2CCN(CCC(C(=O)C3CCCCC3)C3=CC=CC=C3C#N)CC2)C=CC(F)=C1
InChIKey
InChIKey=UBMJNFRJORWLSP-UHFFFAOYSA-N
Formula
C29H35FN2O3
Mass
478.608
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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
Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Aralkylamines Alkyl aryl ethers Piperidines Gamma-amino ketones Aryl fluorides Trialkylamines Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Gamma-aminoketone - Piperidine - Tertiary aliphatic amine - Tertiary amine - Ketone - Ether - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Cyanide - Organohalogen compound - Organofluoride - 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