Compound Identification
SMILES
COC1=CC=CC([C@H]2O[C@H](CC(=O)N3CCC(=CC3)C(O)=O)C(=O)N(CC(C)(C)CO)C3=C2C=C(Cl)C=C3)=C1OC
InChIKey
InChIKey=XXVXHAQKYSQOFN-AOYPEHQESA-N
Formula
C30H35ClN2O8
Mass
587.07
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
Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Aryl chlorides Hydropyridines Tertiary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Ether - Dialkyl ether - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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