3-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]-1-(5-fluoranyl-1-benzothiophen-3-yl)propan-1-ol

Systemtic Name: 3-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]-1-(5-fluoranyl-1-benzothiophen-3-yl)propan-1-ol Openeye Name: 3-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]-1-(5-fluorobenzothiophen-3-yl)propan-1-ol CAS Name: 3-[4-(1,3-benzodioxol-4-yl)-1-piperazinyl]-1-(5-fluoro-1-benzothiophen-3-yl)-1-propanol IUPAC Name: 3-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]-1-(5-fluoro-1-benzothiophen-3-yl)propan-1-ol Traditional Name: 3-[4-(1,3-benzodioxol-4-yl)piperazino]-1-(5-fluorobenzothiophen-3-yl)propan-1-ol Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CSC3=C2C=C(C=C3)F)O)C4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCC(C2=CSC3=C2C=C(C=C3)F)O)C4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C22H23FN2O3S/c23-15-4-5-21-16(12-15)17(13-29-21)19(26)6-7-24-8-10-25(11-9-24)18-2-1-3-20-22(18)28-14-27-20/h1-5,12-13,19,26H,6-11,14H2