2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C21H23FN2O3S MolecularWeight: 402.482323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C21H23FN2O3S/c22-16-2-4-17(5-3-16)23-8-10-24(11-9-23)21(25)15-28-18-6-7-19-20(14-18)27-13-1-12-26-19/h2-7,14H,1,8-13,15H2