4-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethyl]-2H-phthalazin-1-one Formula: C20H18F3N5O2 MolecularWeight: 417.38443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)13-5-6-17(24-12-13)27-7-9-28(10-8-27)18(29)11-16-14-3-1-2-4-15(14)19(30)26-25-16/h1-6,12H,7-11H2,(H,26,30)