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

Systemtic Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]hexan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O/c1-4-5-7-12-27(34)32-17-19-33(20-18-32)29-26(21-24-10-8-6-9-11-24)23(3)30-28(31-29)25-15-13-22(2)14-16-25/h6,8-11,13-16H,4-5,7,12,17-21H2,1-3H3