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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(E)-3-phenylprop-2-enoyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[(E)-3-phenylacryloyl]-3-piperidyl]propan-1-one Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O2/c32-27(30-20-18-29(19-21-30)22-25-10-5-2-6-11-25)16-14-26-12-7-17-31(23-26)28(33)15-13-24-8-3-1-4-9-24/h1-6,8-11,13,15,26H,7,12,14,16-23H2/b15-13+