2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-(4-piperidyl)phenyl]-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-(4-piperidinyl)phenyl]-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-(4-piperidyl)phenyl]-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Formula: C25H23F9N4O7 MolecularWeight: 662.458349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCCC1C2=CC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H20N4O.3C2HF3O2/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13;3*3-2(4,5)1(6)7/h1-7,13,21H,8-11H2,(H2,20,24)(H,22,23);3*(H,6,7)