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

Systemtic Name: 7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-2-methyl-isoquinolin-1-one Openeye Name: 7-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-2-methyl-isoquinolin-1-one CAS Name: 7-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-2-methyl-1-isoquinolinone IUPAC Name: 7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-2-methylisoquinolin-1-one Traditional Name: 7-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-2-methyl-isocarbostyril Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C(C1=O)C=C(C=C2)OCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

Isomeric SMILES

CN1C=CC2=C(C1=O)C=C(C=C2)OCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

InChI

InChI=1S/C25H27N3O2S/c1-26-11-8-19-6-7-20(18-22(19)25(26)29)30-16-3-10-27-12-14-28(15-13-27)23-4-2-5-24-21(23)9-17-31-24/h2,4-9,11,17-18H,3,10,12-16H2,1H3