3-(1-piperidin-4-ylpiperidin-4-yl)-1H-benzimidazol-2-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(1-piperidin-4-ylpiperidin-4-yl)-1H-benzimidazol-2-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[1-(4-piperidyl)-4-piperidyl]-1H-benzimidazol-2-one; 2,2,2-trifluoroacetic acid CAS Name: 3-[1-(4-piperidinyl)-4-piperidinyl]-1H-benzimidazol-2-one; 2,2,2-trifluoroacetic acid IUPAC Name: 3-(1-piperidin-4-ylpiperidin-4-yl)-1H-benzimidazol-2-one; 2,2,2-trifluoroacetic acid Traditional Name: 3-[1-(4-piperidyl)-4-piperidyl]-1H-benzimidazol-2-one; 2,2,2-trifluoroacetic acid Formula: C21H26F6N4O5 MolecularWeight: 528.445359

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCC(CC2)N3C4=CC=CC=C4NC3=O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCCC1N2CCC(CC2)N3C4=CC=CC=C4NC3=O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H24N4O.2C2HF3O2/c22-17-19-15-3-1-2-4-16(15)21(17)14-7-11-20(12-8-14)13-5-9-18-10-6-13;2*3-2(4,5)1(6)7/h1-4,13-14,18H,5-12H2,(H,19,22);2*(H,6,7)