(4-ethylphenyl)-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N4O/c1-4-20-7-11-22(12-8-20)25(30)29-15-13-28(14-16-29)23-17-19(3)26-24(27-23)21-9-5-18(2)6-10-21/h5-12,17H,4,13-16H2,1-3H3