Compound Identification
SMILES
COC1=CC=C(CNC2=NNC3=C2CCOC2=C3C=CC(=C2)N2C[C@H](CNC(C)=O)OC2=O)C=C1
InChIKey
InChIKey=HQYQCXJWVWPHSG-IBGZPJMESA-N
Formula
C25H27N5O5
Mass
477.521
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Oxazolidinones Imidolactams Pyrazoles Acetamides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Phenoxy compound - Anisole - Phenol ether - Benzylamine - Methoxybenzene - Alkyl aryl ether - Oxazolidinone - Monocyclic benzene moiety - Benzenoid - Imidolactam - Oxazolidine - Azole - Acetamide - Carbamic acid ester - Pyrazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available