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

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazino]octan-1-one Formula: C24H33ClN4O MolecularWeight: 428.99802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN4O/c1-4-5-6-7-8-9-22(30)28-14-16-29(17-15-28)24-18(2)19(3)26-23(27-24)20-10-12-21(25)13-11-20/h10-13H,4-9,14-17H2,1-3H3