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

Systemtic Name: 3-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]-1-(5-fluoranyl-1-benzothiophen-3-yl)propan-1-one Openeye Name: 3-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]-1-(5-fluorobenzothiophen-3-yl)propan-1-one CAS Name: 3-[4-(1,3-benzodioxol-4-yl)-1-piperazinyl]-1-(5-fluoro-1-benzothiophen-3-yl)-1-propanone IUPAC Name: 3-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]-1-(5-fluoro-1-benzothiophen-3-yl)propan-1-one Traditional Name: 3-[4-(1,3-benzodioxol-4-yl)piperazino]-1-(5-fluorobenzothiophen-3-yl)propan-1-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O3S/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/h1-5,12-13H,6-11,14H2