Compound Identification
SMILES
COC1=CC2=C(OC[C@@H](C)N([C@H]2C)C(=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=ZJIORNPRXHJPSS-OLZOCXBDSA-N
Formula
C19H20ClNO3
Mass
345.82
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
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organic nitrogen 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