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

Systemtic Name: 1-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-3-phenyl-propan-1-one Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O/c1-19-8-11-22(12-9-19)25-26-20(2)18-23(27-25)28-14-16-29(17-15-28)24(30)13-10-21-6-4-3-5-7-21/h3-9,11-12,18H,10,13-17H2,1-2H3