Compound Identification
SMILES
COC1=CC=CC(=C1)C1=C2CCN=C2N(N1)C1=CC=CC=C1C(C)C
InChIKey
InChIKey=BAJKKOJFCGOFCU-UHFFFAOYSA-N
Formula
C21H23N3O
Mass
333.435
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Pyrrolopyrazoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Imidolactams Pyrrolines Pyrazolines Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cumene - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyrrolopyrazole - Alkyl aryl ether - Imidolactam - Pyrazoline - Pyrroline - Carboxylic acid amidrazone - Amidine - Organoheterocyclic compound - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available