Compound Identification
SMILES
O=C(N[C@@H]1[C@@H](CC2=CC=CC=C2)[C@H]2OCC[C@@H]12)C1(CN2C=CC=N2)CC1
InChIKey
InChIKey=VDOHUDBHPMHIRJ-RDGPPVDQSA-N
Formula
C21H25N3O2
Mass
351.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Cyclopropanecarboxylic acids and derivatives Benzene and substituted derivatives Pyrazoles Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxepane - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Oxolane - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available