2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(4-piperonylpiperazino)ethanone Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H33N3O3/c30-26(29-10-8-22(9-11-29)16-21-4-2-1-3-5-21)19-28-14-12-27(13-15-28)18-23-6-7-24-25(17-23)32-20-31-24/h1-7,17,22H,8-16,18-20H2