methyl 2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[4-[3-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[4-[3-(trifluoromethyl)-2-pyridyl]piperazino]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C19H18F3N5O2 MolecularWeight: 405.37373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)N3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)N3CCN(CC3)C4=C(C=CC=N4)C(F)(F)F

InChI

InChI=1S/C19H18F3N5O2/c1-29-17(28)12-4-5-14-15(11-12)25-18(24-14)27-9-7-26(8-10-27)16-13(19(20,21)22)3-2-6-23-16/h2-6,11H,7-10H2,1H3,(H,24,25)