2-(3-methyl-1-propan-2-yl-azetidin-3-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(3-methyl-1-propan-2-yl-azetidin-3-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(1-isopropyl-3-methyl-azetidin-3-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 2-(3-methyl-1-propan-2-yl-3-azetidinyl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(3-methyl-1-propan-2-ylazetidin-3-yl)-1H-benzimidazole-4-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-(1-isopropyl-3-methyl-azetidin-3-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:

CC(C)N1CC(C1)(C)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

CC(C)N1CC(C1)(C)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/c1-9(2)19-7-15(3,8-19)14-17-11-6-4-5-10(13(16)20)12(11)18-14;3*3-2(4,5)1(6)7/h4-6,9H,7-8H2,1-3H3,(H2,16,20)(H,17,18);3*(H,6,7)