Compound Identification
SMILES
N[C@@H]1CCCN(C1)C1=NN2C=NC=C2C(=O)N1CC1=CC=CC=C1C#N
InChIKey
InChIKey=KIOUJJBECHYIJR-OAHLLOKOSA-N
Formula
C18H19N7O
Mass
349.398
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
Dialkylarylamines Aminotriazines Aminopiperidines N-substituted imidazoles 1,2,4-triazines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Dialkylarylamine - 3-aminopiperidine - Aminotriazine - N-substituted imidazole - 1,2,4-triazine - Piperidine - Triazine - Azole - Imidazole - Heteroaromatic compound - Lactam - Tertiary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic 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