1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-[(3-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(5-m-anisyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]heptan-1-one Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)OC)C)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)OC)C)C

InChI

InChI=1S/C25H36N4O2/c1-5-6-7-8-12-24(30)28-13-15-29(16-14-28)25-23(19(2)26-20(3)27-25)18-21-10-9-11-22(17-21)31-4/h9-11,17H,5-8,12-16,18H2,1-4H3