1-[2-fluoranyl-5-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]-4-(phenylmethyl)piperazine-2,6-dione

Systemtic Name: 1-[2-fluoranyl-5-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]-4-(phenylmethyl)piperazine-2,6-dione Openeye Name: 4-benzyl-1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperazine-2,6-dione CAS Name: 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-4-(phenylmethyl)piperazine-2,6-dione IUPAC Name: 4-benzyl-1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperazine-2,6-dione Traditional Name: 4-benzyl-1-[2-fluoro-5-[(4-keto-3H-phthalazin-1-yl)methyl]phenyl]piperazine-2,6-quinone Formula: C26H21FN4O3 MolecularWeight: 456.468343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1C(=O)N(C(=O)CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C26H21FN4O3/c27-21-11-10-18(12-22-19-8-4-5-9-20(19)26(34)29-28-22)13-23(21)31-24(32)15-30(16-25(31)33)14-17-6-2-1-3-7-17/h1-11,13H,12,14-16H2,(H,29,34)