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

Systemtic Name: 3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-[4-(oxan-4-yl)phenyl]piperidin-2-one Openeye Name: 3-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-1-(4-tetrahydropyran-4-ylphenyl)piperidin-2-one CAS Name: 3-[[2-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-1-[4-(4-oxanyl)phenyl]-2-piperidinone IUPAC Name: 3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-[4-(oxan-4-yl)phenyl]piperidin-2-one Traditional Name: 3-[[2-(4-methylpiperazino)-3-pyridyl]methyl]-1-(4-tetrahydropyran-4-ylphenyl)-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)C5CCOCC5

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=N2)CC3CCCN(C3=O)C4=CC=C(C=C4)C5CCOCC5

InChI

InChI=1S/C27H36N4O2/c1-29-14-16-30(17-15-29)26-23(4-2-12-28-26)20-24-5-3-13-31(27(24)32)25-8-6-21(7-9-25)22-10-18-33-19-11-22/h2,4,6-9,12,22,24H,3,5,10-11,13-20H2,1H3