1-(1-benzothiophen-3-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(1-benzothiophen-3-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-(benzothiophen-3-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]propan-1-one CAS Name: 1-(1-benzothiophen-3-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(1-benzothiophen-3-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-(benzothiophen-3-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazino]propan-1-one Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)N3CCN(CC3)CCC(=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)N3CCN(CC3)CCC(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C24H26N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17H,4,9-16H2