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

Systemtic Name: 7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 7-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 7-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 7-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-3,4-dihydroisocarbostyril Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C1C=CC(=C2)OCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

Isomeric SMILES

C1CNC(=O)C2=C1C=CC(=C2)OCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

InChI

InChI=1S/C24H27N3O2S/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/h1,3-6,8,16-17H,2,7,9-15H2,(H,25,28)