2-(2-cyanopyrimidin-4-yl)-2-(1H-imidazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxylic acid

Systemtic Name: 2-(2-cyanopyrimidin-4-yl)-2-(1H-imidazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxylic acid Openeye Name: 2-(2-cyanopyrimidin-4-yl)-2-(1H-imidazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxylic acid CAS Name: 2-(2-cyano-4-pyrimidinyl)-2-(1H-imidazol-2-yl)-4-(trifluoromethyl)-1-piperidinecarboxylic acid IUPAC Name: 2-(2-cyanopyrimidin-4-yl)-2-(1H-imidazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxylic acid Traditional Name: 2-(2-cyanopyrimidin-4-yl)-2-(1H-imidazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxylic acid Formula: C15H13F3N6O2 MolecularWeight: 366.29793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(F)(F)F)(C2=NC(=NC=C2)C#N)C3=NC=CN3)C(=O)O

Isomeric SMILES

C1CN(C(CC1C(F)(F)F)(C2=NC(=NC=C2)C#N)C3=NC=CN3)C(=O)O

InChI

InChI=1S/C15H13F3N6O2/c16-15(17,18)9-2-6-24(13(25)26)14(7-9,12-21-4-5-22-12)10-1-3-20-11(8-19)23-10/h1,3-5,9H,2,6-7H2,(H,21,22)(H,25,26)