2-[1-(4-fluorophenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[1-(4-fluorophenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(4-fluorophenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(4-fluorophenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(4-fluorophenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-1-piperidino-ethanone Formula: C21H24FN5OS MolecularWeight: 413.511563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=C(C=C3)F)SCC(=O)N4CCCCC4

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=C(C=C3)F)SCC(=O)N4CCCCC4

InChI

InChI=1S/C21H24FN5OS/c1-14(2)19-17-12-23-27(16-8-6-15(22)7-9-16)20(17)21(25-24-19)29-13-18(28)26-10-4-3-5-11-26/h6-9,12,14H,3-5,10-11,13H2,1-2H3