1-(4-tert-butylphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]piperidin-2-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]piperidin-2-one Openeye Name: 1-(4-tert-butylphenyl)-3-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]piperidin-2-one CAS Name: 1-(4-tert-butylphenyl)-3-[[2-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-piperidinone IUPAC Name: 1-(4-tert-butylphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]piperidin-2-one Traditional Name: 1-(4-tert-butylphenyl)-3-[[2-(4-methylpiperazino)-3-pyridyl]methyl]-2-piperidone Formula: C26H36N4O MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CCCC(C2=O)CC3=C(N=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCCC(C2=O)CC3=C(N=CC=C3)N4CCN(CC4)C

InChI

InChI=1S/C26H36N4O/c1-26(2,3)22-9-11-23(12-10-22)30-14-6-8-21(25(30)31)19-20-7-5-13-27-24(20)29-17-15-28(4)16-18-29/h5,7,9-13,21H,6,8,14-19H2,1-4H3