2-[4-(1,4-dithiepan-6-yl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[4-(1,4-dithiepan-6-yl)-1-(2-fluoro-4-methoxy-benzyl)piperazin-2-yl]ethanol Formula: C19H29FN2O2S2 MolecularWeight: 400.574163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)C3CSCCSC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)C3CSCCSC3)F

InChI

InChI=1S/C19H29FN2O2S2/c1-24-18-3-2-15(19(20)10-18)11-21-5-6-22(12-16(21)4-7-23)17-13-25-8-9-26-14-17/h2-3,10,16-17,23H,4-9,11-14H2,1H3