2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C23H27NO3S/c25-23(17-28-20-7-8-21-22(16-20)27-14-4-13-26-21)24-11-9-19(10-12-24)15-18-5-2-1-3-6-18/h1-3,5-8,16,19H,4,9-15,17H2