2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C26H24FN5O2 MolecularWeight: 457.499463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

InChI=1S/C26H24FN5O2/c27-22-7-3-4-8-24(22)30-13-15-31(16-14-30)25(33)18-32-26(34)21-6-2-1-5-20(21)23(29-32)17-19-9-11-28-12-10-19/h1-12H,13-18H2