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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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