2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propan-1-one Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-1-[4-(2-furoyl)piperazino]propan-1-one Formula: C26H23FN4O3S MolecularWeight: 490.549223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)SC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)SC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H23FN4O3S/c1-17(25(32)30-12-14-31(15-13-30)26(33)22-7-4-16-34-22)35-24-21-6-3-2-5-20(21)23(28-29-24)18-8-10-19(27)11-9-18/h2-11,16-17H,12-15H2,1H3