N-(1-adamantyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-ethyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Formula: C29H36F3N5O MolecularWeight: 527.62425

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC(=CC=C6)C(F)(F)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC(=CC=C6)C(F)(F)F)C

InChI

InChI=1S/C29H36F3N5O/c1-3-24-18(2)33-25(22-5-4-6-23(14-22)29(30,31)32)34-26(24)36-7-9-37(10-8-36)27(38)35-28-15-19-11-20(16-28)13-21(12-19)17-28/h4-6,14,19-21H,3,7-13,15-17H2,1-2H3,(H,35,38)