4-[2-oxidanylidene-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]ethyl]-2H-phthalazin-1-one Formula: C21H20N6O3S MolecularWeight: 436.4869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C21H20N6O3S/c28-19(12-16-14-4-1-2-5-15(14)21(29)24-23-16)27-9-7-26(8-10-27)13-18-22-20(25-30-18)17-6-3-11-31-17/h1-6,11H,7-10,12-13H2,(H,24,29)