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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C28H42N4O/c1-6-7-8-9-10-11-15-25(33)31-16-18-32(19-17-31)28-26(21(2)3)23(5)29-27(30-28)24-14-12-13-22(4)20-24/h12-14,20-21H,6-11,15-19H2,1-5H3