Compound Identification
SMILES
COC1=C(OC(=O)C2=CN=CC=C2)C=CC(\C=N/NC2=NN=CC3=CC=CC=C23)=C1
InChIKey
InChIKey=UELSTPXXPLBXGB-MSXFZWOLSA-N
Formula
C22H17N5O3
Mass
399.41
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
Phenol esters Pyridinecarboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyridazines and derivatives Imidolactams Heteroaromatic compounds Carboxylic acid esters Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Phthalazine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridazine - Imidolactam - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Hydrazone - Ether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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