Compound Identification
SMILES
COC1=CC=CC([C@H]2O[C@H](CC(=O)NCC3=CC=C(CCC(O)=O)C=C3)C(=O)N(CC(C)(C)CO)C3=C2C=C(Cl)C=C3)=C1OC
InChIKey
InChIKey=IPVIEHMUFVHNGH-GRKNLSHJSA-N
Formula
C34H39ClN2O8
Mass
639.14
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
Phenylpropanoic acids Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Primary alcohols Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - 3-phenylpropanoic-acid - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Dialkyl ether - Primary alcohol - Organic nitrogen compound - Organohalogen compound - Alcohol - Carbonyl group - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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