1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone

Systemtic Name: 1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Openeye Name: 1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone CAS Name: 1-[6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone IUPAC Name: 1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Traditional Name: 1-[6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Formula: C21H24N2OS MolecularWeight: 352.49306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)C

InChI

InChI=1S/C21H24N2OS/c1-15(24)16-7-8-20-17(13-16)14-19(23-11-9-22(2)10-12-23)18-5-3-4-6-21(18)25-20/h3-8,13,19H,9-12,14H2,1-2H3