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

Systemtic Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C29H38N4O MolecularWeight: 458.63822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C)C

InChI

InChI=1S/C29H38N4O/c1-4-25-20(3)30-26(24-7-5-19(2)6-8-24)31-27(25)32-9-11-33(12-10-32)28(34)29-16-21-13-22(17-29)15-23(14-21)18-29/h5-8,21-23H,4,9-18H2,1-3H3