Compound Identification
SMILES
COCCCCN1C(=O)NC(NC2=CC(CC#N)=C(C)C=C2)=CC1=O
InChIKey
InChIKey=PMTTVNSNTYBVTM-UHFFFAOYSA-N
Formula
C18H22N4O3
Mass
342.399
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl cyanides
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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
Aniline and substituted anilines Toluenes Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Secondary amines Nitriles Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl-cyanide - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Toluene - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - 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