Compound Identification
SMILES
COC1=CC(=CC(CC#N)=C1F)C(NC1=CC=C(C=C1)C(N)=N)C1=NC(=O)N(N1)C1=NN=CC=C1
InChIKey
InChIKey=RORLQRAMNWNCIJ-UHFFFAOYSA-N
Formula
C23H20FN9O2
Mass
473.472
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl cyanides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl cyanides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl cyanides
Alternative Parents
Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Fluorobenzenes Pyridazines and derivatives Aryl fluorides Triazoles Heteroaromatic compounds Nitriles Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl-cyanide - Anisole - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Pyridazine - Heteroaromatic compound - Azole - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Ether - Carboximidamide - Secondary amine - Carbonitrile - Nitrile - Amidine - Organic oxide - Cyanide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
External Descriptors
Not available