Compound Identification
SMILES
Cl.COC1=C(Cl)C=C(CCNC2=NN=C(N3CCCC(CO)C3)C3=C2C=C(C=C3)C#N)C=C1
InChIKey
InChIKey=PEPKRTVUWOTZKF-UHFFFAOYSA-N
Formula
C24H27Cl2N5O2
Mass
488.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Phthalazines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Phthalazines
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Aminopyridazines Chlorobenzenes Piperidines Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Hydrochlorides Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalazine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyridazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridazine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Ether - Carbonitrile - Nitrile - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Hydrochloride - Organic oxygen compound - Primary alcohol - 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