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

Systemtic Name: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 7-[4-[4-(benzothiophen-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 7-[4-[4-(1-benzothiophen-4-yl)-1-piperazinyl]butoxy]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 7-[4-[4-(benzothiophen-4-yl)piperazino]butoxy]-3,4-dihydroisocarbostyril Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

Isomeric SMILES

C1CNC(=O)C2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

InChI

InChI=1S/C25H29N3O2S/c29-25-22-18-20(7-6-19(22)8-10-26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)9-17-31-24/h3-7,9,17-18H,1-2,8,10-16H2,(H,26,29)