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

Systemtic Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[5-isopropyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-propan-2-yl-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[5-isopropyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]octan-1-one Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O/c1-6-7-8-9-10-11-24(32)30-16-18-31(19-17-30)27-25(20(2)3)22(5)28-26(29-27)23-14-12-21(4)13-15-23/h12-15,20H,6-11,16-19H2,1-5H3