Compound Identification
SMILES
CCOC1=C(OC)C=C(C=C1)[C@@H]1OC2=C(N=NC(SCC)=N2)C2=CC=CC=C2N1C(C)=O
InChIKey
InChIKey=VATYUEDCAVQGAT-QFIPXVFZSA-N
Formula
C23H24N4O4S
Mass
452.53
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
Phenoxy compounds Anisoles Methoxybenzenes 1,3-oxazepines Alkyl aryl ethers Alkylarylthioethers 1,2,4-triazines Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Amino acids and derivatives Tertiary amines Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Meta-oxazepine - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Triazine - 1,2,4-triazine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Acetamide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Thioether - Sulfenyl compound - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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