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

Systemtic Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]pentan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O/c1-4-5-11-26(33)31-16-18-32(19-17-31)28-25(20-23-9-7-6-8-10-23)22(3)29-27(30-28)24-14-12-21(2)13-15-24/h6-10,12-15H,4-5,11,16-20H2,1-3H3