Compound Identification
SMILES
Cl.COC1=CC=CC2=C1CCC1CNC(CCN3C(=O)NC4=C(C=CC=N4)C3=O)C21
InChIKey
InChIKey=SMEHRVBIUQSQKM-UHFFFAOYSA-N
Formula
C22H25ClN4O3
Mass
428.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Pyrido[2,3-d]pyrimidines Isoindoles Isoindolines Anisoles Pyrimidones Alkyl aryl ethers Aralkylamines Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Pyrrolidines Lactams Ureas Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Tetralin - Isoindoline - Isoindole - Isoindole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyrimidone - Aralkylamine - Pyrimidine - Pyridine - Vinylogous amide - Pyrrolidine - Heteroaromatic compound - Urea - Lactam - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Hydrochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available