(2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol Openeye Name: (2S)-1-(1-ethynylcyclohexoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(4-fluorophenyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol Traditional Name: (2S)-1-(1-ethynylcyclohexoxy)-3-[4-(4-fluorophenyl)piperazino]propan-2-ol Formula: C21H29FN2O2 MolecularWeight: 360.465563

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

C#CC1(CCCCC1)OC[C@H](CN2CCN(CC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H29FN2O2/c1-2-21(10-4-3-5-11-21)26-17-20(25)16-23-12-14-24(15-13-23)19-8-6-18(22)7-9-19/h1,6-9,20,25H,3-5,10-17H2/t20-/m0/s1