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

Systemtic Name: 4-[[4-fluoranyl-3-(4-morpholin-4-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-[[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-fluoro-3-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C25H26FN5O4 MolecularWeight: 479.503443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN5O4/c26-21-6-5-17(16-22-18-3-1-2-4-19(18)23(32)28-27-22)15-20(21)24(33)29-7-9-30(10-8-29)25(34)31-11-13-35-14-12-31/h1-6,15H,7-14,16H2,(H,28,32)