2-azanyl-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-pentanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-pentanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-pentanamide; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-methylpentanamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-methylpentanamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-valeramide; 2,2,2-trifluoroacetic acid Formula: C20H23F9N4O7 MolecularWeight: 602.404849

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)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/C14H20N4O.3C2HF3O2/c1-3-9(2)13(15)14(19)16-8-12-17-10-6-4-5-7-11(10)18-12;3*3-2(4,5)1(6)7/h4-7,9,13H,3,8,15H2,1-2H3,(H,16,19)(H,17,18);3*(H,6,7)