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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)CSCC3=CC=CC=C32)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCN2C(=O)CSCC3=CC=CC=C32)C4=NC=CC5=CC=CC=C54

InChI

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