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

Systemtic Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O/c1-3-23(31)29-13-15-30(16-14-29)25-22(17-19-7-5-4-6-8-19)18(2)27-24(28-25)20-9-11-21(26)12-10-20/h4-12H,3,13-17H2,1-2H3