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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(E)-3-(2-pyridyl)prop-2-enoyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(E)-1-oxo-3-(2-pyridinyl)prop-2-enyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[(E)-3-(2-pyridyl)acryloyl]-3-piperidyl]propan-1-one Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=CC=N2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c32-26(30-19-17-29(18-20-30)21-23-7-2-1-3-8-23)13-11-24-9-6-16-31(22-24)27(33)14-12-25-10-4-5-15-28-25/h1-5,7-8,10,12,14-15,24H,6,9,11,13,16-22H2/b14-12+