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

Systemtic Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(m-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(=CC=C4)C

Isomeric SMILES

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

InChI

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