2-[4-(diphenylmethyl)piperazin-1-yl]-5-hexyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-5-hexyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-5-hexyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-5-hexyl-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-5-hexyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzhydrylpiperazino)-5-hexyl-6-methyl-1H-pyrimidin-4-one Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H36N4O/c1-3-4-5-12-17-25-22(2)29-28(30-27(25)33)32-20-18-31(19-21-32)26(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,26H,3-5,12,17-21H2,1-2H3,(H,29,30,33)