1-adamantyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C28H35FN4O MolecularWeight: 462.602103

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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(=CC=C6)F)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35FN4O/c1-3-24-18(2)30-25(22-5-4-6-23(29)14-22)31-26(24)32-7-9-33(10-8-32)27(34)28-15-19-11-20(16-28)13-21(12-19)17-28/h4-6,14,19-21H,3,7-13,15-17H2,1-2H3