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

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]hexan-1-one Formula: C28H33ClN4O MolecularWeight: 477.04082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H33ClN4O/c1-3-4-6-11-26(34)32-16-18-33(19-17-32)28-25(20-22-9-7-5-8-10-22)21(2)30-27(31-28)23-12-14-24(29)15-13-23/h5,7-10,12-15H,3-4,6,11,16-20H2,1-2H3