[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-(4-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-(4-fluorobenzothiophen-2-yl)methanone Formula: C22H21FN2O3S MolecularWeight: 412.477143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

InChI

InChI=1S/C22H21FN2O3S/c23-17-2-1-3-20-16(17)13-21(29-20)22(26)25-8-6-24(7-9-25)14-15-4-5-18-19(12-15)28-11-10-27-18/h1-5,12-13H,6-11,14H2