7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 7-[4-[4-(benzothiophen-4-yl)piperazin-1-yl]butoxy]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-[4-(1-benzothiophen-4-yl)-1-piperazinyl]butoxy]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 7-[4-[4-(benzothiophen-4-yl)piperazino]butoxy]-2-methyl-3,4-dihydroisocarbostyril Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)C=C(C=C2)OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

Isomeric SMILES

CN1CCC2=C(C1=O)C=C(C=C2)OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-27-12-9-20-7-8-21(19-23(20)26(27)30)31-17-3-2-11-28-13-15-29(16-14-28)24-5-4-6-25-22(24)10-18-32-25/h4-8,10,18-19H,2-3,9,11-17H2,1H3