3,5,5-trimethyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C28H42N4O MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)C(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)C(C)C)C

InChI

InChI=1S/C28H42N4O/c1-19(2)25-22(5)29-26(23-11-9-10-20(3)16-23)30-27(25)32-14-12-31(13-15-32)24(33)17-21(4)18-28(6,7)8/h9-11,16,19,21H,12-15,17-18H2,1-8H3