Compound Identification
SMILES
COC(=O)C(CN1CCN(C)CC1)CC1=NOC(=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=ISXDFFHWYUIFGW-UHFFFAOYSA-N
Formula
C20H27N3O3
Mass
357.454
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
N-methylpiperazines Fatty acid esters Aralkylamines Methyl esters Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Fatty acid ester - Toluene - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Fatty acyl - Heteroaromatic compound - Azole - Methyl ester - Isoxazole - Carboxylic acid ester - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available