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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

InChI

InChI=1S/C28H35FN4O/c1-18-25(14-20-4-3-5-24(29)13-20)26(31-19(2)30-18)32-6-8-33(9-7-32)27(34)28-15-21-10-22(16-28)12-23(11-21)17-28/h3-5,13,21-23H,6-12,14-17H2,1-2H3