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

Systemtic Name: 5-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[2-[4-(1-isoquinolyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[2-[4-(1-isoquinolinyl)-1-piperazinyl]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[2-[4-(1-isoquinolyl)piperazino]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C24H26N4OS/c29-23-10-18-30-22-8-4-3-7-21(22)28(23)17-14-26-12-15-27(16-13-26)24-20-6-2-1-5-19(20)9-11-25-24/h1-9,11H,10,12-18H2