4-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-[4-[bis(4-fluorophenyl)methyl]piperazino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C28H26F2N4O2 MolecularWeight: 488.528446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26F2N4O2/c1-32-28(36)24-5-3-2-4-23(24)25(31-32)18-26(35)33-14-16-34(17-15-33)27(19-6-10-21(29)11-7-19)20-8-12-22(30)13-9-20/h2-13,27H,14-18H2,1H3