ethyl 4-[[1-(pyrazin-2-ylmethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate hydrate dihydrobromide

Systemtic Name: ethyl 4-[[1-(pyrazin-2-ylmethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate hydrate dihydrobromide Openeye Name: ethyl 4-[[1-(pyrazin-2-ylmethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate hydrate dihydrobromide CAS Name: 4-[[1-(2-pyrazinylmethyl)-2-benzimidazolyl]amino]-1-piperidinecarboxylic acid ethyl ester hydrate dihydrobromide IUPAC Name: ethyl 4-[[1-(pyrazin-2-ylmethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate hydrate dihydrobromide Traditional Name: 4-[[1-(pyrazin-2-ylmethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylic acid ethyl ester hydrate dihydrobromide Formula: C20H28Br2N6O3 MolecularWeight: 560.28272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=NC=CN=C4.O.Br.Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=NC=CN=C4.O.Br.Br

InChI

InChI=1S/C20H24N6O2.2BrH.H2O/c1-2-28-20(27)25-11-7-15(8-12-25)23-19-24-17-5-3-4-6-18(17)26(19)14-16-13-21-9-10-22-16;;;/h3-6,9-10,13,15H,2,7-8,11-12,14H2,1H3,(H,23,24);2*1H;1H2