1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(3-pyridyl)propanoyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[1-oxo-3-(3-pyridinyl)propyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[3-(3-pyridyl)propanoyl]-3-piperidyl]propan-1-one Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CN=CC=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2=CN=CC=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c32-26(30-18-16-29(17-19-30)21-24-6-2-1-3-7-24)13-11-25-9-5-15-31(22-25)27(33)12-10-23-8-4-14-28-20-23/h1-4,6-8,14,20,25H,5,9-13,15-19,21-22H2