1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(3-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]ethanone Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C)CC4=CC(=CC=C4)Cl

InChI

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