5-cyano-N-(2-piperidin-1-ylphenyl)-1H-imidazole-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-cyano-N-(2-piperidin-1-ylphenyl)-1H-imidazole-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-cyano-N-[2-(1-piperidyl)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 5-cyano-N-[2-(1-piperidinyl)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-cyano-N-(2-piperidin-1-ylphenyl)-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 5-cyano-N-(2-piperidinophenyl)-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C18H18F3N5O3 MolecularWeight: 409.36243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=NC=C(N3)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=NC=C(N3)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H17N5O.C2HF3O2/c17-10-12-11-18-15(19-12)16(22)20-13-6-2-3-7-14(13)21-8-4-1-5-9-21;3-2(4,5)1(6)7/h2-3,6-7,11H,1,4-5,8-9H2,(H,18,19)(H,20,22);(H,6,7)