Compound Identification
SMILES
FC1=C(Cl)C=CC(=C1)[C@@H]1OCCNC[C@H]1OC1=C(C=CC=N1)C1=NC(=O)ON1
InChIKey
InChIKey=NEWSKSMRLCDFAL-CABCVRRESA-N
Formula
C18H16ClFN4O4
Mass
406.8
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Oxazepines
- Subclass 1,4-oxazepines
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Class
Oxazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazepines
Subclass
1,4-oxazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-oxazepines
Alternative Parents
Alkyl aryl ethers Aralkylamines Fluorobenzenes Chlorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides 1,2,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Dialkyl ethers Hydrocarbon derivatives Organofluorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para-oxazepine - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Oxadiazole - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organooxygen compound - Amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.
External Descriptors
Not available