Compound Identification
SMILES
CS(=O)(=O)N1CCC2=C(C1)C(=NN2CC(O)CN1CCC(CC1)N1C2=CC=CC=C2COCC1=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=LYFKQHVCRNURSR-UHFFFAOYSA-N
Formula
C31H36F3N5O5S
Mass
647.71
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
Phenylpyrazoles Trifluoromethylbenzenes Organic sulfonamides Organosulfonamides Piperidines Heteroaromatic compounds Sulfonyls Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines 1,2-aminoalcohols Lactams Secondary alcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Phenylpyrazole - Trifluoromethylbenzene - Monocyclic benzene moiety - Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Azole - Pyrazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Alcohol - Alkyl fluoride - 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