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

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-1-yl)-3-(1-ethynylcyclohexoxy)propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazino)-3-(1-ethynylcyclohexoxy)propan-2-ol Formula: C22H32N2O2 MolecularWeight: 356.50168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

C#CC1(CCCCC1)OC[C@H](CN2CCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H32N2O2/c1-2-22(11-7-4-8-12-22)26-19-21(25)18-24-15-13-23(14-16-24)17-20-9-5-3-6-10-20/h1,3,5-6,9-10,21,25H,4,7-8,11-19H2/t21-/m0/s1