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

Systemtic Name: 1-adamantyl-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C26H31FN4O MolecularWeight: 434.548943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H31FN4O/c1-17-9-23(29-24(28-17)21-3-2-4-22(27)13-21)30-5-7-31(8-6-30)25(32)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-4,9,13,18-20H,5-8,10-12,14-16H2,1H3