7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-2H-isoquinolin-1-one

Systemtic Name: 7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-2H-isoquinolin-1-one Openeye Name: 7-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-2H-isoquinolin-1-one CAS Name: 7-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-2H-isoquinolin-1-one IUPAC Name: 7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-2H-isoquinolin-1-one Traditional Name: 7-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]isocarbostyril Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CNC3=O)C4=C5C=CSC5=CC=C4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CNC3=O)C4=C5C=CSC5=CC=C4

InChI

InChI=1S/C24H25N3O2S/c28-24-21-17-19(6-5-18(21)7-9-25-24)29-15-2-10-26-11-13-27(14-12-26)22-3-1-4-23-20(22)8-16-30-23/h1,3-9,16-17H,2,10-15H2,(H,25,28)