Compound Identification
SMILES
CC1=C(C)C(=CC=C1)N1NC(=C2CCCCN=C12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PVKFRIITPSQSKG-UHFFFAOYSA-N
Formula
C21H22ClN3
Mass
351.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
o-Xylenes
Alternative Parents
Chlorobenzenes Azepines Imidolactams Aryl chlorides Pyrazolines Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-xylene - Azepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidolactam - Pyrazoline - Carboxylic acid amidrazone - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
External Descriptors
Not available