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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C

InChI

InChI=1S/C23H31ClN4O/c1-4-5-6-7-22(29)27-12-14-28(15-13-27)23-21(17(2)25-18(3)26-23)16-19-8-10-20(24)11-9-19/h8-11H,4-7,12-16H2,1-3H3