Compound Identification
SMILES
Cl.COC1=C(C=CC=C1OCCNCCC1=CC=CC=C1)C1OC(CC(=O)NCC2=CC=CC=C2F)C(=O)N(CC(C)(C)C)C2=C1C=C(Cl)C=C2
InChIKey
InChIKey=WZRAOJOSCVZMSL-UHFFFAOYSA-N
Formula
C40H46Cl2FN3O5
Mass
738.72
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
Phenethylamines Methoxybenzenes Anisoles Phenoxy compounds Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Dialkylamines Dialkyl ethers Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Secondary amine - Azacycle - Oxacycle - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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