1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]heptan-1-one Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H36N4O/c1-5-7-8-9-10-23(30)28-15-17-29(18-16-28)25-22(6-2)20(4)26-24(27-25)21-13-11-19(3)12-14-21/h11-14H,5-10,15-18H2,1-4H3