Compound Identification
SMILES
OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=CC=CC=C12.COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1
InChIKey
InChIKey=WKVMKNFYMGCPPF-UHFFFAOYSA-N
Formula
C46H50F3N5O7S
Mass
873.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
-
Subclass
Benzodiazines
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Level 5
Phthalazines
- Level 6 Phthalazinones
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Level 5
Phthalazines
-
Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Phthalazines
Direct Parent
Phthalazinones
Alternative Parents
Phenylbutylamines Dimethoxybenzenes Benzothiazoles Phenethylamines Phenylpropanes Phenoxy compounds Anisoles Pyridazinones Aralkylamines Alkyl aryl ethers Thiazoles Heteroaromatic compounds Lactams Trialkylamines Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylbutylamine - Phthalazinone - Dimethoxybenzene - O-dimethoxybenzene - 1,3-benzothiazole - Phenethylamine - Phenylpropane - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Aralkylamine - Pyridazine - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Tertiary amine - Lactam - Tertiary aliphatic amine - Carbonitrile - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Nitrile - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
External Descriptors
Not available