5-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[4-[4-(1-isoquinolyl)piperazin-1-yl]butyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[4-[4-(1-isoquinolinyl)-1-piperazinyl]butyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[4-[4-(1-isoquinolyl)piperazino]butyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H30N4OS MolecularWeight: 446.6076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CCCCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CCCCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H30N4OS/c31-25-12-20-32-24-10-4-3-9-23(24)30(25)15-6-5-14-28-16-18-29(19-17-28)26-22-8-2-1-7-21(22)11-13-27-26/h1-4,7-11,13H,5-6,12,14-20H2