2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]isoquinolin-1-one Openeye Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]isoquinolin-1-one CAS Name: 2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-1-isoquinolinone IUPAC Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]isoquinolin-1-one Traditional Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]isocarbostyril Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C=CC3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCN2C=CC3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H22N4OS/c27-22-18-6-2-1-5-17(18)9-10-26(22)16-13-24-11-14-25(15-12-24)21-19-7-3-4-8-20(19)28-23-21/h1-10H,11-16H2