Compound Identification
SMILES
FC(F)(F)OC1=CC=CC(CN2C(=O)OC3(CCN(CC4=CN=CN4CC4=CC=C(C=C4)C#N)CC3)C3=C2C=CC(Cl)=C3)=C1
InChIKey
InChIKey=XHTOZGOXPDXRIG-UHFFFAOYSA-N
Formula
C32H27ClF3N5O3
Mass
622.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazines
Alternative Parents
Phenoxy compounds Phenol ethers Benzonitriles Aralkylamines Aryl chlorides Piperidines N-substituted imidazoles Carbamate esters Heteroaromatic compounds Trihalomethanes Trialkylamines Nitriles Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazine - Phenoxy compound - Phenol ether - Benzonitrile - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - N-substituted imidazole - Azole - Carbamic acid ester - Heteroaromatic compound - Imidazole - Trihalomethane - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Halomethane - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors
Not available