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

Systemtic Name: [4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-cyclohexyl-methanone Openeye Name: [4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-cyclohexyl-methanone CAS Name: [4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-cyclohexylmethanone IUPAC Name: [4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclohexylmethanone Traditional Name: [4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-cyclohexyl-methanone Formula: C29H33ClN4O MolecularWeight: 489.05152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33ClN4O/c1-21-26(20-22-8-4-2-5-9-22)28(32-27(31-21)23-12-14-25(30)15-13-23)33-16-18-34(19-17-33)29(35)24-10-6-3-7-11-24/h2,4-5,8-9,12-15,24H,3,6-7,10-11,16-20H2,1H3