Compound Identification
SMILES
CC1(C)OC2=C(CN(CC(O)=O)C1=O)C=CC(OCCCNC1=CC=CC=N1)=C2
InChIKey
InChIKey=SMDHWVKACCKWHD-UHFFFAOYSA-N
Formula
C21H25N3O5
Mass
399.447
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
Alpha amino acids and derivatives Phenol ethers Alkyl aryl ethers Aminopyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Alpha-amino acid or derivatives - Phenol ether - Alkyl aryl ether - Aminopyridine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - 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