1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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