Compound Identification
SMILES
CC1=CC=C(S1)C1=CC2=C(OCCN(C2)C(=O)C2=C3N=CC=CN3N=C2)C(OC[C@@H]2CCCCO2)=C1
InChIKey
InChIKey=YJHOGFVQTXNGQZ-NRFANRHFSA-N
Formula
C27H28N4O4S
Mass
504.61
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
Pyrazolo[1,5-a]pyrimidines Pyrazole-4-carboxamides Phenol ethers 2,5-disubstituted thiophenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Oxanes Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Phenol ether - Pyrazole-4-carboxamide - 2,5-disubstituted thiophene - Alkyl aryl ether - Oxane - Benzenoid - Pyrimidine - Heteroaromatic compound - Pyrazole - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Azole - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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