cyclohexyl-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: cyclohexyl-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-cyclohexylmethanone Traditional Name: [4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-cyclohexyl-methanone Formula: C30H36N4O MolecularWeight: 468.63304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C30H36N4O/c1-22-10-9-15-26(20-22)28-31-23(2)27(21-24-11-5-3-6-12-24)29(32-28)33-16-18-34(19-17-33)30(35)25-13-7-4-8-14-25/h3,5-6,9-12,15,20,25H,4,7-8,13-14,16-19,21H2,1-2H3