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

Systemtic Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]methanone Formula: C29H35F3N4O MolecularWeight: 512.60961

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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(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35F3N4O/c1-3-24-18(2)33-25(22-4-6-23(7-5-22)29(30,31)32)34-26(24)35-8-10-36(11-9-35)27(37)28-15-19-12-20(16-28)14-21(13-19)17-28/h4-7,19-21H,3,8-17H2,1-2H3