4-[[3-(4-morpholin-4-ylcarbonylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-morpholin-4-ylcarbonylpiperazin-1-yl)carbonylphenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C25H27N5O4 MolecularWeight: 461.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43)C(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43)C(=O)N5CCOCC5

InChI

InChI=1S/C25H27N5O4/c31-23-21-7-2-1-6-20(21)22(26-27-23)17-18-4-3-5-19(16-18)24(32)28-8-10-29(11-9-28)25(33)30-12-14-34-15-13-30/h1-7,16H,8-15,17H2,(H,27,31)