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

Systemtic Name: N-(1-adamantyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide Formula: C27H32F3N5O MolecularWeight: 499.57109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32F3N5O/c1-17-9-23(32-24(31-17)21-3-2-4-22(13-21)27(28,29)30)34-5-7-35(8-6-34)25(36)33-26-14-18-10-19(15-26)12-20(11-18)16-26/h2-4,9,13,18-20H,5-8,10-12,14-16H2,1H3,(H,33,36)