Compound Identification
SMILES
COC1=C(Cl)C=C(CNC2=NN=C(NCC3=CC=CC=N3)C3=C2C=C(C=C3)C#N)C=C1
InChIKey
InChIKey=LQFHWQJCBHTIMP-UHFFFAOYSA-N
Formula
C23H19ClN6O
Mass
430.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
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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
2-pyridylmethylamines Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Chlorobenzenes Aminopyridazines Alkyl aryl ethers Aryl chlorides Imidolactams Heteroaromatic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Amines Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalazine - Anisole - Benzylamine - Phenol ether - Methoxybenzene - 2-pyridylmethylamine - Phenoxy compound - Alkyl aryl ether - Aminopyridazine - Chlorobenzene - Halobenzene - Aryl chloride - Imidolactam - Benzenoid - Pyridine - Pyridazine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Carbonitrile - Nitrile - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Cyanide - 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