4-[[5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylfuran-2-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylfuran-2-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-furyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-furanyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[5-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-furyl]methyl]-2H-phthalazin-1-one Formula: C22H20N6O3 MolecularWeight: 416.4326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(O3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(O3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H20N6O3/c29-20-17-5-2-1-4-16(17)18(25-26-20)14-15-6-7-19(31-15)21(30)27-10-12-28(13-11-27)22-23-8-3-9-24-22/h1-9H,10-14H2,(H,26,29)