2-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 2-(4-methyl-4-azepanyl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Formula: C21H23F9N4O7 MolecularWeight: 614.415549

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCNCC1)C2=NC3=C(C=CC=C3N2)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

CC1(CCCNCC1)C2=NC3=C(C=CC=C3N2)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/C15H20N4O.3C2HF3O2/c1-15(6-3-8-17-9-7-15)14-18-11-5-2-4-10(13(16)20)12(11)19-14;3*3-2(4,5)1(6)7/h2,4-5,17H,3,6-9H2,1H3,(H2,16,20)(H,18,19);3*(H,6,7)