Compound Identification
SMILES
CC12CCOC1C(C)(C)NC1=C2C=C(C(F)=C1)C1=CC=CC2=CN=NC=C12
InChIKey
InChIKey=LOJJYUOYQLBJNF-UHFFFAOYSA-N
Formula
C22H22FN3O
Mass
363.436
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
- Level 5 Phthalazines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Phthalazines
Alternative Parents
Hydroquinolines Secondary alkylarylamines Aralkylamines Pyridazines and derivatives Benzenoids Aryl fluorides Oxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroquinoline - Phthalazine - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl fluoride - Aryl halide - Pyridazine - Benzenoid - Heteroaromatic compound - Oxolane - Oxacycle - Ether - Dialkyl ether - Azacycle - Secondary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
External Descriptors
Not available