(4-tert-butylphenyl)-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O/c1-7-25-21(3)30-26(23-10-8-9-20(2)19-23)31-27(25)32-15-17-33(18-16-32)28(34)22-11-13-24(14-12-22)29(4,5)6/h8-14,19H,7,15-18H2,1-6H3