1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)C)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)C)C)C

InChI

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