N-(1-adamantyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C28H36FN5O MolecularWeight: 477.616743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

InChI

InChI=1S/C28H36FN5O/c1-18-25(14-20-4-3-5-24(29)13-20)26(31-19(2)30-18)33-6-8-34(9-7-33)27(35)32-28-15-21-10-22(16-28)12-23(11-21)17-28/h3-5,13,21-23H,6-12,14-17H2,1-2H3,(H,32,35)