Compound Identification
SMILES
CC1=CC(C)=C(C)C(CC2=NC(N)=NC(NC3=CC=C(C=C3)C#N)=N2)=C1C
InChIKey
InChIKey=JLFIGWIBNSPGAG-UHFFFAOYSA-N
Formula
C21H22N6
Mass
358.449
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 1,3,5-triazine-2,4-diamines 1,3,5-triazines Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - Benzonitrile - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Azacycle - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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