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

Systemtic Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 3,5,5-trimethyl-1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]hexan-1-one Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-18-8-7-9-21(14-18)24-26-20(3)16-22(27-24)28-10-12-29(13-11-28)23(30)15-19(2)17-25(4,5)6/h7-9,14,16,19H,10-13,15,17H2,1-6H3