3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-[4-(1-oxidanylcyclopentyl)phenyl]piperidin-2-one

Systemtic Name: 3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-[4-(1-oxidanylcyclopentyl)phenyl]piperidin-2-one Openeye Name: 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]piperidin-2-one CAS Name: 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-piperidinone IUPAC Name: 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]piperidin-2-one Traditional Name: 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazino)-3-pyridyl]methyl]-2-piperidone Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=N2)CC3CCCN(C3=O)C4=CC=C(C=C4)C5(CCCC5)O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=N2)CC3CCCN(C3=O)C4=CC=C(C=C4)C5(CCCC5)O

InChI

InChI=1S/C27H36N4O2/c1-29-16-18-30(19-17-29)25-21(6-4-14-28-25)20-22-7-5-15-31(26(22)32)24-10-8-23(9-11-24)27(33)12-2-3-13-27/h4,6,8-11,14,22,33H,2-3,5,7,12-13,15-20H2,1H3