Compound Identification
SMILES
OCCN1C2=C(C=C(Cl)C=C2)[C@@]2(OCC[NH+]2CC1=O)C1=CC=CC=C1F
InChIKey
InChIKey=WMFSSTNVXWNLKI-IBGZPJMESA-O
Formula
C19H19ClFN2O3
Mass
377.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
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Subclass
1,4-benzodiazepines
- Level 5 1,3-oxazolobenzo-1,4-diazepines
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Subclass
1,4-benzodiazepines
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Class
Benzodiazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,3-oxazolobenzo-1,4-diazepines
Alternative Parents
Alpha amino acids and derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Quaternary ammonium salts Oxazolidines Tertiary amines Lactams Alkanolamines Oxacyclic compounds Azacyclic compounds Organochlorides Carbonyl compounds Primary alcohols Organofluorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-oxazolobenzo-1,4-diazepine - Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazolidine - Quaternary ammonium salt - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Alkanolamine - Oxacycle - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Primary alcohol - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-oxazolobenzo-1,4-diazepines. These are aromatic heteropolycyclic compounds containing a 1,3-oxazole ring fused to the 1,-4-diazepine moiety of a 1,4-benzodiazepine ring system.
External Descriptors
Not available