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

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]heptan-1-one Formula: C23H31ClN4O MolecularWeight: 414.97144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN4O/c1-4-5-6-7-8-21(29)27-13-15-28(16-14-27)23-17(2)18(3)25-22(26-23)19-9-11-20(24)12-10-19/h9-12H,4-8,13-16H2,1-3H3