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

Systemtic Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C29H37FN4O MolecularWeight: 476.628683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

InChI

InChI=1S/C29H37FN4O/c1-3-26-25(15-20-5-4-6-24(30)14-20)27(32-19(2)31-26)33-7-9-34(10-8-33)28(35)29-16-21-11-22(17-29)13-23(12-21)18-29/h4-6,14,21-23H,3,7-13,15-18H2,1-2H3