2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(2-tert-butyl-4-methylphenoxy)-1-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-tert-butyl-4-methylphenoxy)-1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]propan-1-one Formula: C28H41N5O2 MolecularWeight: 479.65744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C(C)OC4=C(C=C(C=C4)C)C(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C(C)OC4=C(C=C(C=C4)C)C(C)(C)C

InChI

InChI=1S/C28H41N5O2/c1-20-9-11-31(12-10-20)25-18-26(30-19-29-25)32-13-15-33(16-14-32)27(34)22(3)35-24-8-7-21(2)17-23(24)28(4,5)6/h7-8,17-20,22H,9-16H2,1-6H3