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

Systemtic Name: 1-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C26H30N4O MolecularWeight: 414.5426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-4-23(21-8-6-5-7-9-21)26(31)30-16-14-29(15-17-30)24-18-20(3)27-25(28-24)22-12-10-19(2)11-13-22/h5-13,18,23H,4,14-17H2,1-3H3