Compound Identification
SMILES
NC1=C(C#N)C2=CCC3(C[C@@H]2[C@@H](C2=CC=NC=C2)C1(C#N)C#N)OCCO3
InChIKey
InChIKey=ONZBGUBSZFVIET-DOTOQJQBSA-N
Formula
C20H17N5O2
Mass
359.389
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
- Class Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Acetals
Direct Parent
Ketals
Alternative Parents
Pyridines and derivatives Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Nitriles Enamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ketal - Pyridine - Meta-dioxolane - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Enamine - Amine - Organic nitrogen compound - Primary amine - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
External Descriptors
Not available