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

Systemtic Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[5-(2-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]nonan-1-one Formula: C26H37ClN4O MolecularWeight: 457.05118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3Cl)C)C

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C26H37ClN4O/c1-4-5-6-7-8-9-14-25(32)30-15-17-31(18-16-30)26-23(20(2)28-21(3)29-26)19-22-12-10-11-13-24(22)27/h10-13H,4-9,14-19H2,1-3H3