methyl 5-chloranyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 5-chloranyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazino]nicotinic acid methyl ester Formula: C19H17ClF3N5O2 MolecularWeight: 439.81879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3N5O2/c1-30-17(29)11-8-13(20)16(24-10-11)27-4-6-28(7-5-27)18-25-14-3-2-12(19(21,22)23)9-15(14)26-18/h2-3,8-10H,4-7H2,1H3,(H,25,26)