ethyl 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazino]nicotinic acid ethyl ester Formula: C20H20F3N5O2 MolecularWeight: 419.40031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2/c1-2-30-18(29)14-4-3-7-24-17(14)27-8-10-28(11-9-27)19-25-15-6-5-13(20(21,22)23)12-16(15)26-19/h3-7,12H,2,8-11H2,1H3,(H,25,26)