Compound Identification
SMILES
CCC1=C(C)NC(=O)C(N(C)C)=C1CNC1=CC=C(C=C1)C#N
InChIKey
InChIKey=SQSWLMMLUBUDNN-UHFFFAOYSA-N
Formula
C18H22N4O
Mass
310.401
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
Aniline and substituted anilines Dialkylarylamines Phenylalkylamines Aminopyridines and derivatives Secondary alkylarylamines Pyridinones Dihydropyridines Methylpyridines Heteroaromatic compounds Lactams Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Dihydropyridine - Methylpyridine - Aralkylamine - Pyridinone - Secondary aliphatic/aromatic amine - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen 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