1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(2-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(2-pyridylmethyl)piperazino]ethanone Formula: C22H28N4OS MolecularWeight: 396.54892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H28N4OS/c1-18-9-11-26(20-7-2-3-8-21(20)28-18)22(27)17-25-14-12-24(13-15-25)16-19-6-4-5-10-23-19/h2-8,10,18H,9,11-17H2,1H3