1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(E)-3-(2-thienyl)prop-2-enoyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[(E)-3-(2-thienyl)acryloyl]-3-piperidyl]propan-1-one Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CS2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=CS2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2S/c30-25(28-17-15-27(16-18-28)20-22-6-2-1-3-7-22)12-10-23-8-4-14-29(21-23)26(31)13-11-24-9-5-19-32-24/h1-3,5-7,9,11,13,19,23H,4,8,10,12,14-18,20-21H2/b13-11+