1-(1-ethynylcyclohexyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(1-ethynylcyclohexyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol Openeye Name: 1-(1-ethynylcyclohexyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol CAS Name: 1-(1-ethynylcyclohexyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-(1-ethynylcyclohexyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol Traditional Name: 1-(1-ethynylcyclohexyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazino]propan-2-ol Formula: C22H29F3N2O MolecularWeight: 394.47367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29F3N2O/c1-2-21(9-4-3-5-10-21)16-20(28)17-26-11-13-27(14-12-26)19-8-6-7-18(15-19)22(23,24)25/h1,6-8,15,20,28H,3-5,9-14,16-17H2