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

Systemtic Name: 3-[[3-(4-ethylpiperazin-1-yl)pyridin-2-yl]methyl]-1-[4-(oxan-4-yl)phenyl]piperidin-2-one Openeye Name: 3-[[3-(4-ethylpiperazin-1-yl)-2-pyridyl]methyl]-1-(4-tetrahydropyran-4-ylphenyl)piperidin-2-one CAS Name: 3-[[3-(4-ethyl-1-piperazinyl)-2-pyridinyl]methyl]-1-[4-(4-oxanyl)phenyl]-2-piperidinone IUPAC Name: 3-[[3-(4-ethylpiperazin-1-yl)pyridin-2-yl]methyl]-1-[4-(oxan-4-yl)phenyl]piperidin-2-one Traditional Name: 3-[[3-(4-ethylpiperazino)-2-pyridyl]methyl]-1-(4-tetrahydropyran-4-ylphenyl)-2-piperidone Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(N=CC=C2)CC3CCCN(C3=O)C4=CC=C(C=C4)C5CCOCC5

Isomeric SMILES

CCN1CCN(CC1)C2=C(N=CC=C2)CC3CCCN(C3=O)C4=CC=C(C=C4)C5CCOCC5

InChI

InChI=1S/C28H38N4O2/c1-2-30-15-17-31(18-16-30)27-6-3-13-29-26(27)21-24-5-4-14-32(28(24)33)25-9-7-22(8-10-25)23-11-19-34-20-12-23/h3,6-10,13,23-24H,2,4-5,11-12,14-21H2,1H3