Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Phthalazines

Direct Parent

Phthalazinones

Alternative Parents

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

Previous Back Next