4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-[[5-(3-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC=C(S4)C5=CC(=CC=C5)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC=C(S4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H23FN4O2S/c1-28-24(31)21-8-3-2-7-20(21)23(27-28)25(32)30-13-11-29(12-14-30)16-19-9-10-22(33-19)17-5-4-6-18(26)15-17/h2-10,15H,11-14,16H2,1H3