1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4CCC(=CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4CCC(=CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C26H31N3O5S/c30-26(20-27-11-9-22(10-12-27)21-5-2-1-3-6-21)28-13-15-29(16-14-28)35(31,32)23-7-8-24-25(19-23)34-18-4-17-33-24/h1-3,5-9,19H,4,10-18,20H2