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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C(CC)C3=CC=CC=C3)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H34N4O/c1-5-24-21(4)29-26(23-14-12-20(3)13-15-23)30-27(24)31-16-18-32(19-17-31)28(33)25(6-2)22-10-8-7-9-11-22/h7-15,25H,5-6,16-19H2,1-4H3