1-[3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[3-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]-1-piperidyl]-4-phenyl-butan-1-one CAS Name: 1-[3-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-1-piperidinyl]-4-phenyl-1-butanone IUPAC Name: 1-[3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[3-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]piperidino]-4-phenyl-butan-1-one Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

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