Compound Identification
SMILES
CCCCSC1=NC2=C(N=N1)C1=CC=CC=C1N([C@H](O2)C1=CC=CN1C)C(C)=O
InChIKey
InChIKey=MXJTZDOFZDJTPV-HXUWFJFHSA-N
Formula
C21H23N5O2S
Mass
409.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Alkylarylthioethers 1,3-oxazepines N-methylpyrroles Benzenoids 1,2,4-triazines Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - Alkylarylthioether - N-methylpyrrole - Substituted pyrrole - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Pyrrole - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available