2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C26H24FN5O2 MolecularWeight: 457.499463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

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