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

Systemtic Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]nonan-1-one Traditional Name: 1-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)piperazino]nonan-1-one Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-5-6-7-8-9-10-11-26(32)30-16-18-31(19-17-30)27-25(21(2)28-22(3)29-27)20-23-12-14-24(33-4)15-13-23/h12-15H,5-11,16-20H2,1-4H3